I: pbuilder: network access will be disabled during build I: Current time: Mon Jun 2 09:50:46 +14 2025 I: pbuilder-time-stamp: 1748807446 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz] I: copying local configuration W: --override-config is not set; not updating apt.conf Read the manpage for details. I: mounting /proc filesystem I: mounting /sys filesystem I: creating /{dev,run}/shm I: mounting /dev/pts filesystem I: redirecting /dev/ptmx to /dev/pts/ptmx I: policy-rc.d already exists I: Copying source file I: copying [nwchem_7.2.2-2.dsc] I: copying [./nwchem_7.2.2.orig.tar.bz2] I: copying [./nwchem_7.2.2-2.debian.tar.xz] I: Extracting source gpgv: Signature made Sat Apr 6 10:09:58 2024 gpgv: using RSA key 23C9A93E585819E9126D0A36573EF1E4BD5A01FA gpgv: Can't check signature: No public key dpkg-source: warning: cannot verify inline signature for ./nwchem_7.2.2-2.dsc: no acceptable signature found dpkg-source: info: extracting nwchem in nwchem-7.2.2 dpkg-source: info: unpacking nwchem_7.2.2.orig.tar.bz2 dpkg-source: info: unpacking nwchem_7.2.2-2.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying 01_hardcode_basis-sets_location.patch dpkg-source: info: applying 02_makefile_flags.patch dpkg-source: info: applying peigs_defines.patch dpkg-source: info: applying 15_testsuite_print_output_on_failure.patch dpkg-source: info: applying ga_libs.patch dpkg-source: info: applying detect_mpi.patch dpkg-source: info: applying 32bit_overflow_n2_ccsd_2824153.patch I: using fakeroot in build. I: Installing the build-deps I: user script /srv/workspace/pbuilder/2383049/tmp/hooks/D01_modify_environment starting debug: Running on codethink01-arm64. I: Changing host+domainname to test build reproducibility I: Adding a custom variable just for the fun of it... I: Changing /bin/sh to bash '/bin/sh' -> '/bin/bash' lrwxrwxrwx 1 root root 9 Jun 1 19:52 /bin/sh -> /bin/bash I: Setting pbuilder2's login shell to /bin/bash I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other I: user script /srv/workspace/pbuilder/2383049/tmp/hooks/D01_modify_environment finished I: user script /srv/workspace/pbuilder/2383049/tmp/hooks/D02_print_environment starting I: set BASH=/bin/sh BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath BASH_ALIASES=() BASH_ARGC=() BASH_ARGV=() BASH_CMDS=() BASH_LINENO=([0]="12" [1]="0") BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:. BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") BASH_VERSINFO=([0]="5" [1]="2" [2]="21" [3]="1" [4]="release" [5]="aarch64-unknown-linux-gnu") BASH_VERSION='5.2.21(1)-release' BUILDDIR=/build/reproducible-path BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' BUILDUSERNAME=pbuilder2 BUILD_ARCH=arm64 DEBIAN_FRONTEND=noninteractive DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 ' DIRSTACK=() DISTRIBUTION=unstable EUID=0 FUNCNAME=([0]="Echo" [1]="main") GROUPS=() HOME=/root HOSTNAME=i-capture-the-hostname HOSTTYPE=aarch64 HOST_ARCH=arm64 IFS=' ' INVOCATION_ID=4f45c1a54a0a4159b3de292ab716d3fb LANG=C LANGUAGE=nl_BE:nl LC_ALL=C MACHTYPE=aarch64-unknown-linux-gnu MAIL=/var/mail/root OPTERR=1 OPTIND=1 OSTYPE=linux-gnu PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path PBCURRENTCOMMANDLINEOPERATION=build PBUILDER_OPERATION=build PBUILDER_PKGDATADIR=/usr/share/pbuilder PBUILDER_PKGLIBDIR=/usr/lib/pbuilder PBUILDER_SYSCONFDIR=/etc PIPESTATUS=([0]="0") POSIXLY_CORRECT=y PPID=2383049 PS4='+ ' PWD=/ SHELL=/bin/bash SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix SHLVL=3 SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.SP196d5k/pbuilderrc_XSyD --distribution unstable --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.SP196d5k/b2 --logfile b2/build.log nwchem_7.2.2-2.dsc' SUDO_GID=109 SUDO_UID=104 SUDO_USER=jenkins TERM=unknown TZ=/usr/share/zoneinfo/Etc/GMT-14 UID=0 USER=root _='I: set' http_proxy=http://192.168.101.4:3128 I: uname -a Linux i-capture-the-hostname 6.1.0-20-cloud-arm64 #1 SMP Debian 6.1.85-1 (2024-04-11) aarch64 GNU/Linux I: ls -l /bin lrwxrwxrwx 1 root root 7 May 30 14:05 /bin -> usr/bin I: user script /srv/workspace/pbuilder/2383049/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy Version: 0.invalid.0 Architecture: arm64 Maintainer: Debian Pbuilder Team Description: Dummy package to satisfy dependencies with aptitude - created by pbuilder This package was created automatically by pbuilder to satisfy the build-dependencies of the package being currently built. Depends: debhelper-compat (= 13), dh-python, gfortran, bc, libarmci-mpi-dev (>= 0.3.1~beta-2~), libblas-dev, libglobalarrays-dev (>= 5.8.1-4~), liblapack-dev, libscalapack-mpi-dev (>= 2), libscalapack-mpich-dev (>= 2), libscalapack-openmpi-dev (>= 2), mpi-default-bin, mpi-default-dev, libmpich-dev, libopenmpi-dev, openssh-client, pkg-config, python3-dev, zlib1g-dev dpkg-deb: building package 'pbuilder-satisfydepends-dummy' in '/tmp/satisfydepends-aptitude/pbuilder-satisfydepends-dummy.deb'. Selecting previously unselected package pbuilder-satisfydepends-dummy. (Reading database ... 19735 files and directories currently installed.) Preparing to unpack .../pbuilder-satisfydepends-dummy.deb ... Unpacking pbuilder-satisfydepends-dummy (0.invalid.0) ... dpkg: pbuilder-satisfydepends-dummy: dependency problems, but configuring anyway as you requested: pbuilder-satisfydepends-dummy depends on debhelper-compat (= 13); however: Package debhelper-compat is not installed. pbuilder-satisfydepends-dummy depends on dh-python; however: Package dh-python is not installed. pbuilder-satisfydepends-dummy depends on gfortran; however: Package gfortran is not installed. pbuilder-satisfydepends-dummy depends on bc; however: Package bc is not installed. pbuilder-satisfydepends-dummy depends on libarmci-mpi-dev (>= 0.3.1~beta-2~); however: Package libarmci-mpi-dev is not installed. pbuilder-satisfydepends-dummy depends on libblas-dev; however: Package libblas-dev is not installed. pbuilder-satisfydepends-dummy depends on libglobalarrays-dev (>= 5.8.1-4~); however: Package libglobalarrays-dev is not installed. pbuilder-satisfydepends-dummy depends on liblapack-dev; however: Package liblapack-dev is not installed. pbuilder-satisfydepends-dummy depends on libscalapack-mpi-dev (>= 2); however: Package libscalapack-mpi-dev is not installed. pbuilder-satisfydepends-dummy depends on libscalapack-mpich-dev (>= 2); however: Package libscalapack-mpich-dev is not installed. pbuilder-satisfydepends-dummy depends on libscalapack-openmpi-dev (>= 2); however: Package libscalapack-openmpi-dev is not installed. pbuilder-satisfydepends-dummy depends on mpi-default-bin; however: Package mpi-default-bin is not installed. pbuilder-satisfydepends-dummy depends on mpi-default-dev; however: Package mpi-default-dev is not installed. pbuilder-satisfydepends-dummy depends on libmpich-dev; however: Package libmpich-dev is not installed. pbuilder-satisfydepends-dummy depends on libopenmpi-dev; however: Package libopenmpi-dev is not installed. pbuilder-satisfydepends-dummy depends on openssh-client; however: Package openssh-client is not installed. pbuilder-satisfydepends-dummy depends on pkg-config; however: Package pkg-config is not installed. pbuilder-satisfydepends-dummy depends on python3-dev; however: Package python3-dev is not installed. pbuilder-satisfydepends-dummy depends on zlib1g-dev; however: Package zlib1g-dev is not installed. Setting up pbuilder-satisfydepends-dummy (0.invalid.0) ... Reading package lists... Building dependency tree... Reading state information... Initializing package states... Writing extended state information... Building tag database... pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) The following NEW packages will be installed: autoconf{a} automake{a} autopoint{a} autotools-dev{a} bc{a} bsdextrautils{a} debhelper{a} dh-autoreconf{a} dh-python{a} dh-strip-nondeterminism{a} dwz{a} file{a} gettext{a} gettext-base{a} gfortran{a} gfortran-13{a} gfortran-13-aarch64-linux-gnu{a} gfortran-aarch64-linux-gnu{a} groff-base{a} hwloc-nox{a} ibverbs-providers{a} intltool-debian{a} libamd-comgr2{a} libamdhip64-5{a} libarchive-zip-perl{a} libarmci-mpi-dev{a} libblas-dev{a} libblas3{a} libbsd0{a} libcbor0.10{a} libcom-err2{a} libdebhelper-perl{a} libdrm-amdgpu1{a} libdrm-common{a} libdrm2{a} libedit2{a} libelf1t64{a} libevent-2.1-7t64{a} libevent-core-2.1-7t64{a} libevent-dev{a} libevent-extra-2.1-7t64{a} libevent-openssl-2.1-7t64{a} libevent-pthreads-2.1-7t64{a} libexpat1{a} libexpat1-dev{a} libfabric1{a} libfido2-1{a} libfile-stripnondeterminism-perl{a} libgfortran-13-dev{a} libgfortran5{a} libglobalarrays-dev{a} libgssapi-krb5-2{a} libhsa-runtime64-1{a} libhsakmt1{a} libhwloc-dev{a} libhwloc-plugins{a} libhwloc15{a} libibverbs-dev{a} libibverbs1{a} libicu72{a} libjs-jquery{a} libjs-jquery-ui{a} libjs-sphinxdoc{a} libjs-underscore{a} libk5crypto3{a} libkeyutils1{a} libkrb5-3{a} libkrb5support0{a} liblapack-dev{a} liblapack3{a} libllvm17t64{a} libltdl-dev{a} libltdl7{a} libmagic-mgc{a} libmagic1t64{a} libmpich-dev{a} libmpich12{a} libmunge2{a} libnl-3-200{a} libnl-3-dev{a} libnl-route-3-200{a} libnl-route-3-dev{a} libnuma-dev{a} libnuma1{a} libopenmpi-dev{a} libopenmpi3t64{a} libpciaccess0{a} libpipeline1{a} libpkgconf3{a} libpmix-dev{a} libpmix2t64{a} libpython3-dev{a} libpython3-stdlib{a} libpython3.11-dev{a} libpython3.11-minimal{a} libpython3.11-stdlib{a} libpython3.11t64{a} librdmacm1t64{a} libreadline8t64{a} libscalapack-mpi-dev{a} libscalapack-mpich-dev{a} libscalapack-mpich2.2{a} libscalapack-openmpi-dev{a} libscalapack-openmpi2.2{a} libslurm40t64{a} libsub-override-perl{a} libtool{a} libuchardet0{a} libucx0{a} libx11-6{a} libx11-data{a} libxau6{a} libxcb1{a} libxdmcp6{a} libxext6{a} libxml2{a} libxnvctrl0{a} libz3-4{a} m4{a} man-db{a} media-types{a} mpi-default-bin{a} mpi-default-dev{a} mpich{a} netbase{a} ocl-icd-libopencl1{a} openmpi-bin{a} openmpi-common{a} openssh-client{a} pkg-config{a} pkgconf{a} pkgconf-bin{a} po-debconf{a} python3{a} python3-dev{a} python3-distutils{a} python3-lib2to3{a} python3-minimal{a} python3-pkg-resources{a} python3-setuptools{a} python3.11{a} python3.11-dev{a} python3.11-minimal{a} readline-common{a} sensible-utils{a} tzdata{a} zlib1g-dev{a} The following packages are RECOMMENDED but will NOT be installed: ca-certificates curl javascript-common krb5-locales libarchive-cpio-perl libcoarrays-openmpi-dev libmail-sendmail-perl lynx wget xauth 0 packages upgraded, 147 newly installed, 0 to remove and 0 not upgraded. Need to get 132 MB of archives. After unpacking 630 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian unstable/main arm64 libpython3.11-minimal arm64 3.11.9-1 [813 kB] Get: 2 http://deb.debian.org/debian unstable/main arm64 libexpat1 arm64 2.6.2-1 [88.7 kB] Get: 3 http://deb.debian.org/debian unstable/main arm64 python3.11-minimal arm64 3.11.9-1 [1767 kB] Get: 4 http://deb.debian.org/debian unstable/main arm64 python3-minimal arm64 3.11.8-1 [26.3 kB] Get: 5 http://deb.debian.org/debian unstable/main arm64 media-types all 10.1.0 [26.9 kB] Get: 6 http://deb.debian.org/debian unstable/main arm64 netbase all 6.4 [12.8 kB] Get: 7 http://deb.debian.org/debian unstable/main arm64 tzdata all 2024a-3 [255 kB] Get: 8 http://deb.debian.org/debian unstable/main arm64 readline-common all 8.2-4 [69.3 kB] Get: 9 http://deb.debian.org/debian unstable/main arm64 libreadline8t64 arm64 8.2-4 [157 kB] Get: 10 http://deb.debian.org/debian unstable/main arm64 libpython3.11-stdlib arm64 3.11.9-1 [1775 kB] Get: 11 http://deb.debian.org/debian unstable/main arm64 python3.11 arm64 3.11.9-1 [602 kB] Get: 12 http://deb.debian.org/debian unstable/main arm64 libpython3-stdlib arm64 3.11.8-1 [9332 B] Get: 13 http://deb.debian.org/debian unstable/main arm64 python3 arm64 3.11.8-1 [27.4 kB] Get: 14 http://deb.debian.org/debian unstable/main arm64 sensible-utils all 0.0.22 [22.4 kB] Get: 15 http://deb.debian.org/debian unstable/main arm64 libmagic-mgc arm64 1:5.45-3 [314 kB] Get: 16 http://deb.debian.org/debian unstable/main arm64 libmagic1t64 arm64 1:5.45-3 [100 kB] Get: 17 http://deb.debian.org/debian unstable/main arm64 file arm64 1:5.45-3 [43.0 kB] Get: 18 http://deb.debian.org/debian unstable/main arm64 gettext-base arm64 0.21-14+b1 [160 kB] Get: 19 http://deb.debian.org/debian unstable/main arm64 libuchardet0 arm64 0.0.8-1+b1 [69.0 kB] Get: 20 http://deb.debian.org/debian unstable/main arm64 groff-base arm64 1.23.0-3+b1 [1126 kB] Get: 21 http://deb.debian.org/debian unstable/main arm64 bsdextrautils arm64 2.40-8 [93.0 kB] Get: 22 http://deb.debian.org/debian unstable/main arm64 libpipeline1 arm64 1.5.7-2 [36.5 kB] Get: 23 http://deb.debian.org/debian unstable/main arm64 man-db arm64 2.12.1-1 [1394 kB] Get: 24 http://deb.debian.org/debian unstable/main arm64 libbsd0 arm64 0.12.2-1 [129 kB] Get: 25 http://deb.debian.org/debian unstable/main arm64 libedit2 arm64 3.1-20230828-1+b1 [89.1 kB] Get: 26 http://deb.debian.org/debian unstable/main arm64 libcbor0.10 arm64 0.10.2-1.2 [27.2 kB] Get: 27 http://deb.debian.org/debian unstable/main arm64 libfido2-1 arm64 1.14.0-1+b2 [73.4 kB] Get: 28 http://deb.debian.org/debian unstable/main arm64 libkrb5support0 arm64 1.20.1-6+b1 [33.0 kB] Get: 29 http://deb.debian.org/debian unstable/main arm64 libcom-err2 arm64 1.47.1~rc1-1 [22.2 kB] Get: 30 http://deb.debian.org/debian unstable/main arm64 libk5crypto3 arm64 1.20.1-6+b1 [80.5 kB] Get: 31 http://deb.debian.org/debian unstable/main arm64 libkeyutils1 arm64 1.6.3-3 [9112 B] Get: 32 http://deb.debian.org/debian unstable/main arm64 libkrb5-3 arm64 1.20.1-6+b1 [315 kB] Get: 33 http://deb.debian.org/debian unstable/main arm64 libgssapi-krb5-2 arm64 1.20.1-6+b1 [124 kB] Get: 34 http://deb.debian.org/debian unstable/main arm64 openssh-client arm64 1:9.7p1-4 [902 kB] Get: 35 http://deb.debian.org/debian unstable/main arm64 m4 arm64 1.4.19-4 [277 kB] Get: 36 http://deb.debian.org/debian unstable/main arm64 autoconf all 2.71-3 [332 kB] Get: 37 http://deb.debian.org/debian unstable/main arm64 autotools-dev all 20220109.1 [51.6 kB] Get: 38 http://deb.debian.org/debian unstable/main arm64 automake all 1:1.16.5-1.3 [823 kB] Get: 39 http://deb.debian.org/debian unstable/main arm64 autopoint all 0.21-14 [496 kB] Get: 40 http://deb.debian.org/debian unstable/main arm64 bc arm64 1.07.1-4 [101 kB] Get: 41 http://deb.debian.org/debian unstable/main arm64 libdebhelper-perl all 13.15.3 [88.0 kB] Get: 42 http://deb.debian.org/debian unstable/main arm64 libtool all 2.4.7-7 [517 kB] Get: 43 http://deb.debian.org/debian unstable/main arm64 dh-autoreconf all 20 [17.1 kB] Get: 44 http://deb.debian.org/debian unstable/main arm64 libarchive-zip-perl all 1.68-1 [104 kB] Get: 45 http://deb.debian.org/debian unstable/main arm64 libsub-override-perl all 0.10-1 [10.6 kB] Get: 46 http://deb.debian.org/debian unstable/main arm64 libfile-stripnondeterminism-perl all 1.13.1-1 [19.4 kB] Get: 47 http://deb.debian.org/debian unstable/main arm64 dh-strip-nondeterminism all 1.13.1-1 [8620 B] Get: 48 http://deb.debian.org/debian unstable/main arm64 libelf1t64 arm64 0.191-1+b1 [187 kB] Get: 49 http://deb.debian.org/debian unstable/main arm64 dwz arm64 0.15-1+b1 [102 kB] Get: 50 http://deb.debian.org/debian unstable/main arm64 libicu72 arm64 72.1-4+b1 [9224 kB] Get: 51 http://deb.debian.org/debian unstable/main arm64 libxml2 arm64 2.9.14+dfsg-1.3+b3 [624 kB] Get: 52 http://deb.debian.org/debian unstable/main arm64 gettext arm64 0.21-14+b1 [1249 kB] Get: 53 http://deb.debian.org/debian unstable/main arm64 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Get: 54 http://deb.debian.org/debian unstable/main arm64 po-debconf all 1.0.21+nmu1 [248 kB] Get: 55 http://deb.debian.org/debian unstable/main arm64 debhelper all 13.15.3 [901 kB] Get: 56 http://deb.debian.org/debian unstable/main arm64 python3-pkg-resources all 68.1.2-2 [241 kB] Get: 57 http://deb.debian.org/debian unstable/main arm64 python3-lib2to3 all 3.12.3-1 [77.6 kB] Get: 58 http://deb.debian.org/debian unstable/main arm64 python3-distutils all 3.12.3-1 [131 kB] Get: 59 http://deb.debian.org/debian unstable/main arm64 python3-setuptools all 68.1.2-2 [468 kB] Get: 60 http://deb.debian.org/debian unstable/main arm64 dh-python all 6.20240422 [107 kB] Get: 61 http://deb.debian.org/debian unstable/main arm64 libgfortran5 arm64 14-20240330-1 [361 kB] Get: 62 http://deb.debian.org/debian unstable/main arm64 libgfortran-13-dev arm64 13.2.0-23 [401 kB] Get: 63 http://deb.debian.org/debian unstable/main arm64 gfortran-13-aarch64-linux-gnu arm64 13.2.0-23 [9294 kB] Get: 64 http://deb.debian.org/debian unstable/main arm64 gfortran-13 arm64 13.2.0-23 [11.2 kB] Get: 65 http://deb.debian.org/debian unstable/main arm64 gfortran-aarch64-linux-gnu arm64 4:13.2.0-7 [1288 B] Get: 66 http://deb.debian.org/debian unstable/main arm64 gfortran arm64 4:13.2.0-7 [1428 B] Get: 67 http://deb.debian.org/debian unstable/main arm64 libhwloc15 arm64 2.10.0-1+b1 [140 kB] Get: 68 http://deb.debian.org/debian unstable/main arm64 hwloc-nox arm64 2.10.0-1+b1 [196 kB] Get: 69 http://deb.debian.org/debian unstable/main arm64 libnl-3-200 arm64 3.7.0-0.3 [56.5 kB] Get: 70 http://deb.debian.org/debian unstable/main arm64 libnl-route-3-200 arm64 3.7.0-0.3 [165 kB] Get: 71 http://deb.debian.org/debian unstable/main arm64 libibverbs1 arm64 50.0-2+b1 [58.2 kB] Get: 72 http://deb.debian.org/debian unstable/main arm64 ibverbs-providers arm64 50.0-2+b1 [315 kB] Get: 73 http://deb.debian.org/debian unstable/main arm64 libz3-4 arm64 4.8.12-3.1+b2 [6508 kB] Get: 74 http://deb.debian.org/debian unstable/main arm64 libllvm17t64 arm64 1:17.0.6-10 [21.3 MB] Get: 75 http://deb.debian.org/debian unstable/main arm64 libamd-comgr2 arm64 6.0+git20231212.4510c28+dfsg-3+b1 [12.1 MB] Get: 76 http://deb.debian.org/debian unstable/main arm64 libdrm-common all 2.4.120-2 [7688 B] Get: 77 http://deb.debian.org/debian unstable/main arm64 libdrm2 arm64 2.4.120-2 [37.5 kB] Get: 78 http://deb.debian.org/debian unstable/main arm64 libdrm-amdgpu1 arm64 2.4.120-2 [21.0 kB] Get: 79 http://deb.debian.org/debian unstable/main arm64 libnuma1 arm64 2.0.18-1 [21.4 kB] Get: 80 http://deb.debian.org/debian unstable/main arm64 libhsakmt1 arm64 5.7.0-1 [57.6 kB] Get: 81 http://deb.debian.org/debian unstable/main arm64 libhsa-runtime64-1 arm64 5.7.1-2 [276 kB] Get: 82 http://deb.debian.org/debian unstable/main arm64 libamdhip64-5 arm64 5.7.1-3 [8698 kB] Get: 83 http://deb.debian.org/debian unstable/main arm64 libarmci-mpi-dev arm64 0.3.1-beta+git20221202.f1c4dae-1 [63.8 kB] Get: 84 http://deb.debian.org/debian unstable/main arm64 libblas3 arm64 3.12.0-3 [91.7 kB] Get: 85 http://deb.debian.org/debian unstable/main arm64 libblas-dev arm64 3.12.0-3 [98.2 kB] Get: 86 http://deb.debian.org/debian unstable/main arm64 libevent-2.1-7t64 arm64 2.1.12-stable-8.1+b3 [169 kB] Get: 87 http://deb.debian.org/debian unstable/main arm64 libevent-core-2.1-7t64 arm64 2.1.12-stable-8.1+b3 [125 kB] Get: 88 http://deb.debian.org/debian unstable/main arm64 libevent-extra-2.1-7t64 arm64 2.1.12-stable-8.1+b3 [102 kB] Get: 89 http://deb.debian.org/debian unstable/main arm64 libevent-pthreads-2.1-7t64 arm64 2.1.12-stable-8.1+b3 [54.3 kB] Get: 90 http://deb.debian.org/debian unstable/main arm64 libevent-openssl-2.1-7t64 arm64 2.1.12-stable-8.1+b3 [60.3 kB] Get: 91 http://deb.debian.org/debian unstable/main arm64 libevent-dev arm64 2.1.12-stable-8.1+b3 [303 kB] Get: 92 http://deb.debian.org/debian unstable/main arm64 libexpat1-dev arm64 2.6.2-1 [278 kB] Get: 93 http://deb.debian.org/debian unstable/main arm64 librdmacm1t64 arm64 50.0-2+b1 [66.6 kB] Get: 94 http://deb.debian.org/debian unstable/main arm64 libfabric1 arm64 1.17.0-3+b1 [479 kB] Get: 95 http://deb.debian.org/debian unstable/main arm64 libglobalarrays-dev arm64 5.8.2-3 [484 kB] Get: 96 http://deb.debian.org/debian unstable/main arm64 libnuma-dev arm64 2.0.18-1 [37.4 kB] Get: 97 http://deb.debian.org/debian unstable/main arm64 libltdl7 arm64 2.4.7-7+b1 [393 kB] Get: 98 http://deb.debian.org/debian unstable/main arm64 libltdl-dev arm64 2.4.7-7+b1 [165 kB] Get: 99 http://deb.debian.org/debian unstable/main arm64 libhwloc-dev arm64 2.10.0-1+b1 [234 kB] Get: 100 http://deb.debian.org/debian unstable/main arm64 libpciaccess0 arm64 0.17-3+b1 [51.1 kB] Get: 101 http://deb.debian.org/debian unstable/main arm64 libxau6 arm64 1:1.0.9-1+b1 [18.1 kB] Get: 102 http://deb.debian.org/debian unstable/main arm64 libxdmcp6 arm64 1:1.1.2-3+b1 [24.3 kB] Get: 103 http://deb.debian.org/debian unstable/main arm64 libxcb1 arm64 1.17.0-1 [143 kB] Get: 104 http://deb.debian.org/debian unstable/main arm64 libx11-data all 2:1.8.7-1 [328 kB] Get: 105 http://deb.debian.org/debian unstable/main arm64 libx11-6 arm64 2:1.8.7-1+b1 [775 kB] Get: 106 http://deb.debian.org/debian unstable/main arm64 libxext6 arm64 2:1.3.4-1+b1 [51.7 kB] Get: 107 http://deb.debian.org/debian unstable/main arm64 libxnvctrl0 arm64 535.171.04-1 [13.8 kB] Get: 108 http://deb.debian.org/debian unstable/main arm64 ocl-icd-libopencl1 arm64 2.3.2-1+b1 [39.3 kB] Get: 109 http://deb.debian.org/debian unstable/main arm64 libhwloc-plugins arm64 2.10.0-1+b1 [18.0 kB] Get: 110 http://deb.debian.org/debian unstable/main arm64 libnl-3-dev arm64 3.7.0-0.3 [101 kB] Get: 111 http://deb.debian.org/debian unstable/main arm64 libnl-route-3-dev arm64 3.7.0-0.3 [197 kB] Get: 112 http://deb.debian.org/debian unstable/main arm64 libibverbs-dev arm64 50.0-2+b1 [626 kB] Get: 113 http://deb.debian.org/debian unstable/main arm64 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [326 kB] Get: 114 http://deb.debian.org/debian unstable/main arm64 libjs-jquery-ui all 1.13.2+dfsg-1 [250 kB] Get: 115 http://deb.debian.org/debian unstable/main arm64 libjs-underscore all 1.13.4~dfsg+~1.11.4-3 [116 kB] Get: 116 http://deb.debian.org/debian unstable/main arm64 libjs-sphinxdoc all 7.2.6-6 [150 kB] Get: 117 http://deb.debian.org/debian unstable/main arm64 liblapack3 arm64 3.12.0-3 [1757 kB] Get: 118 http://deb.debian.org/debian unstable/main arm64 liblapack-dev arm64 3.12.0-3 [3584 kB] Get: 119 http://deb.debian.org/debian unstable/main arm64 libucx0 arm64 1.16.0+ds-5 [938 kB] Get: 120 http://deb.debian.org/debian unstable/main arm64 libmpich12 arm64 4.2.0-5.1 [5476 kB] Get: 121 http://deb.debian.org/debian unstable/main arm64 libslurm40t64 arm64 23.11.4-1.4 [657 kB] Get: 122 http://deb.debian.org/debian unstable/main arm64 mpich arm64 4.2.0-5.1 [213 kB] Get: 123 http://deb.debian.org/debian unstable/main arm64 libmpich-dev arm64 4.2.0-5.1 [7152 kB] Get: 124 http://deb.debian.org/debian unstable/main arm64 libmunge2 arm64 0.5.15-4 [19.2 kB] Get: 125 http://deb.debian.org/debian unstable/main arm64 libpmix2t64 arm64 5.0.2-3 [580 kB] Get: 126 http://deb.debian.org/debian unstable/main arm64 libopenmpi3t64 arm64 4.1.6-13 [2167 kB] Get: 127 http://deb.debian.org/debian unstable/main arm64 openmpi-common all 4.1.6-13 [169 kB] Get: 128 http://deb.debian.org/debian unstable/main arm64 zlib1g-dev arm64 1:1.3.dfsg-3.1 [915 kB] Get: 129 http://deb.debian.org/debian unstable/main arm64 libpmix-dev arm64 5.0.2-3 [3921 kB] Get: 130 http://deb.debian.org/debian unstable/main arm64 openmpi-bin arm64 4.1.6-13 [225 kB] Get: 131 http://deb.debian.org/debian unstable/main arm64 libopenmpi-dev arm64 4.1.6-13 [972 kB] Get: 132 http://deb.debian.org/debian unstable/main arm64 libpkgconf3 arm64 1.8.1-1+b2 [35.3 kB] Get: 133 http://deb.debian.org/debian unstable/main arm64 libpython3.11t64 arm64 3.11.9-1 [1814 kB] Get: 134 http://deb.debian.org/debian unstable/main arm64 libpython3.11-dev arm64 3.11.9-1 [4358 kB] Get: 135 http://deb.debian.org/debian unstable/main arm64 libpython3-dev arm64 3.11.8-1 [9564 B] Get: 136 http://deb.debian.org/debian unstable/main arm64 mpi-default-bin arm64 1.15 [2408 B] Get: 137 http://deb.debian.org/debian unstable/main arm64 libscalapack-openmpi2.2 arm64 2.2.1-3.1 [1186 kB] Get: 138 http://deb.debian.org/debian unstable/main arm64 libscalapack-openmpi-dev arm64 2.2.1-3.1 [9772 B] Get: 139 http://deb.debian.org/debian unstable/main arm64 mpi-default-dev arm64 1.15 [3152 B] Get: 140 http://deb.debian.org/debian unstable/main arm64 libscalapack-mpi-dev arm64 2.2.1-3.1 [4916 B] Get: 141 http://deb.debian.org/debian unstable/main arm64 libscalapack-mpich2.2 arm64 2.2.1-3.1 [1186 kB] Get: 142 http://deb.debian.org/debian unstable/main arm64 pkgconf-bin arm64 1.8.1-1+b2 [29.3 kB] Get: 143 http://deb.debian.org/debian unstable/main arm64 pkgconf arm64 1.8.1-1+b2 [26.2 kB] Get: 144 http://deb.debian.org/debian unstable/main arm64 pkg-config arm64 1.8.1-1+b2 [14.0 kB] Get: 145 http://deb.debian.org/debian unstable/main arm64 python3.11-dev arm64 3.11.9-1 [501 kB] Get: 146 http://deb.debian.org/debian unstable/main arm64 python3-dev arm64 3.11.8-1 [26.1 kB] Get: 147 http://deb.debian.org/debian unstable/main arm64 libscalapack-mpich-dev arm64 2.2.1-3.1 [9772 B] Fetched 132 MB in 1s (221 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libpython3.11-minimal:arm64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19735 files and directories currently installed.) Preparing to unpack .../libpython3.11-minimal_3.11.9-1_arm64.deb ... Unpacking libpython3.11-minimal:arm64 (3.11.9-1) ... Selecting previously unselected package libexpat1:arm64. Preparing to unpack .../libexpat1_2.6.2-1_arm64.deb ... Unpacking libexpat1:arm64 (2.6.2-1) ... Selecting previously unselected package python3.11-minimal. Preparing to unpack .../python3.11-minimal_3.11.9-1_arm64.deb ... Unpacking python3.11-minimal (3.11.9-1) ... Setting up libpython3.11-minimal:arm64 (3.11.9-1) ... Setting up libexpat1:arm64 (2.6.2-1) ... Setting up python3.11-minimal (3.11.9-1) ... Selecting previously unselected package python3-minimal. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 20051 files and directories currently installed.) Preparing to unpack .../0-python3-minimal_3.11.8-1_arm64.deb ... Unpacking python3-minimal (3.11.8-1) ... Selecting previously unselected package media-types. Preparing to unpack .../1-media-types_10.1.0_all.deb ... Unpacking media-types (10.1.0) ... Selecting previously unselected package netbase. Preparing to unpack .../2-netbase_6.4_all.deb ... Unpacking netbase (6.4) ... Selecting previously unselected package tzdata. Preparing to unpack .../3-tzdata_2024a-3_all.deb ... Unpacking tzdata (2024a-3) ... Selecting previously unselected package readline-common. Preparing to unpack .../4-readline-common_8.2-4_all.deb ... Unpacking readline-common (8.2-4) ... Selecting previously unselected package libreadline8t64:arm64. Preparing to unpack .../5-libreadline8t64_8.2-4_arm64.deb ... Adding 'diversion of /lib/aarch64-linux-gnu/libhistory.so.8 to /lib/aarch64-linux-gnu/libhistory.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/aarch64-linux-gnu/libhistory.so.8.2 to /lib/aarch64-linux-gnu/libhistory.so.8.2.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/aarch64-linux-gnu/libreadline.so.8 to /lib/aarch64-linux-gnu/libreadline.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/aarch64-linux-gnu/libreadline.so.8.2 to /lib/aarch64-linux-gnu/libreadline.so.8.2.usr-is-merged by libreadline8t64' Unpacking libreadline8t64:arm64 (8.2-4) ... Selecting previously unselected package libpython3.11-stdlib:arm64. Preparing to unpack .../6-libpython3.11-stdlib_3.11.9-1_arm64.deb ... Unpacking libpython3.11-stdlib:arm64 (3.11.9-1) ... Selecting previously unselected package python3.11. Preparing to unpack .../7-python3.11_3.11.9-1_arm64.deb ... Unpacking python3.11 (3.11.9-1) ... Selecting previously unselected package libpython3-stdlib:arm64. Preparing to unpack .../8-libpython3-stdlib_3.11.8-1_arm64.deb ... Unpacking libpython3-stdlib:arm64 (3.11.8-1) ... Setting up python3-minimal (3.11.8-1) ... Selecting previously unselected package python3. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 21043 files and directories currently installed.) Preparing to unpack .../000-python3_3.11.8-1_arm64.deb ... Unpacking python3 (3.11.8-1) ... Selecting previously unselected package sensible-utils. Preparing to unpack .../001-sensible-utils_0.0.22_all.deb ... Unpacking sensible-utils (0.0.22) ... Selecting previously unselected package libmagic-mgc. Preparing to unpack .../002-libmagic-mgc_1%3a5.45-3_arm64.deb ... Unpacking libmagic-mgc (1:5.45-3) ... Selecting previously unselected package libmagic1t64:arm64. Preparing to unpack .../003-libmagic1t64_1%3a5.45-3_arm64.deb ... Unpacking libmagic1t64:arm64 (1:5.45-3) ... Selecting previously unselected package file. Preparing to unpack .../004-file_1%3a5.45-3_arm64.deb ... Unpacking file (1:5.45-3) ... Selecting previously unselected package gettext-base. Preparing to unpack .../005-gettext-base_0.21-14+b1_arm64.deb ... Unpacking gettext-base (0.21-14+b1) ... Selecting previously unselected package libuchardet0:arm64. Preparing to unpack .../006-libuchardet0_0.0.8-1+b1_arm64.deb ... Unpacking libuchardet0:arm64 (0.0.8-1+b1) ... 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Unpacking libkeyutils1:arm64 (1.6.3-3) ... Selecting previously unselected package libkrb5-3:arm64. Preparing to unpack .../019-libkrb5-3_1.20.1-6+b1_arm64.deb ... Unpacking libkrb5-3:arm64 (1.20.1-6+b1) ... Selecting previously unselected package libgssapi-krb5-2:arm64. Preparing to unpack .../020-libgssapi-krb5-2_1.20.1-6+b1_arm64.deb ... Unpacking libgssapi-krb5-2:arm64 (1.20.1-6+b1) ... Selecting previously unselected package openssh-client. Preparing to unpack .../021-openssh-client_1%3a9.7p1-4_arm64.deb ... Unpacking openssh-client (1:9.7p1-4) ... Selecting previously unselected package m4. Preparing to unpack .../022-m4_1.4.19-4_arm64.deb ... Unpacking m4 (1.4.19-4) ... Selecting previously unselected package autoconf. Preparing to unpack .../023-autoconf_2.71-3_all.deb ... Unpacking autoconf (2.71-3) ... Selecting previously unselected package autotools-dev. Preparing to unpack .../024-autotools-dev_20220109.1_all.deb ... Unpacking autotools-dev (20220109.1) ... 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Unpacking libarchive-zip-perl (1.68-1) ... Selecting previously unselected package libsub-override-perl. Preparing to unpack .../032-libsub-override-perl_0.10-1_all.deb ... Unpacking libsub-override-perl (0.10-1) ... Selecting previously unselected package libfile-stripnondeterminism-perl. Preparing to unpack .../033-libfile-stripnondeterminism-perl_1.13.1-1_all.deb ... Unpacking libfile-stripnondeterminism-perl (1.13.1-1) ... Selecting previously unselected package dh-strip-nondeterminism. Preparing to unpack .../034-dh-strip-nondeterminism_1.13.1-1_all.deb ... Unpacking dh-strip-nondeterminism (1.13.1-1) ... Selecting previously unselected package libelf1t64:arm64. Preparing to unpack .../035-libelf1t64_0.191-1+b1_arm64.deb ... Unpacking libelf1t64:arm64 (0.191-1+b1) ... Selecting previously unselected package dwz. Preparing to unpack .../036-dwz_0.15-1+b1_arm64.deb ... Unpacking dwz (0.15-1+b1) ... Selecting previously unselected package libicu72:arm64. Preparing to unpack .../037-libicu72_72.1-4+b1_arm64.deb ... Unpacking libicu72:arm64 (72.1-4+b1) ... Selecting previously unselected package libxml2:arm64. Preparing to unpack .../038-libxml2_2.9.14+dfsg-1.3+b3_arm64.deb ... Unpacking libxml2:arm64 (2.9.14+dfsg-1.3+b3) ... Selecting previously unselected package gettext. Preparing to unpack .../039-gettext_0.21-14+b1_arm64.deb ... Unpacking gettext (0.21-14+b1) ... Selecting previously unselected package intltool-debian. Preparing to unpack .../040-intltool-debian_0.35.0+20060710.6_all.deb ... Unpacking intltool-debian (0.35.0+20060710.6) ... Selecting previously unselected package po-debconf. Preparing to unpack .../041-po-debconf_1.0.21+nmu1_all.deb ... Unpacking po-debconf (1.0.21+nmu1) ... Selecting previously unselected package debhelper. Preparing to unpack .../042-debhelper_13.15.3_all.deb ... Unpacking debhelper (13.15.3) ... Selecting previously unselected package python3-pkg-resources. Preparing to unpack .../043-python3-pkg-resources_68.1.2-2_all.deb ... Unpacking python3-pkg-resources (68.1.2-2) ... Selecting previously unselected package python3-lib2to3. Preparing to unpack .../044-python3-lib2to3_3.12.3-1_all.deb ... Unpacking python3-lib2to3 (3.12.3-1) ... Selecting previously unselected package python3-distutils. Preparing to unpack .../045-python3-distutils_3.12.3-1_all.deb ... Unpacking python3-distutils (3.12.3-1) ... Selecting previously unselected package python3-setuptools. Preparing to unpack .../046-python3-setuptools_68.1.2-2_all.deb ... Unpacking python3-setuptools (68.1.2-2) ... Selecting previously unselected package dh-python. Preparing to unpack .../047-dh-python_6.20240422_all.deb ... Unpacking dh-python (6.20240422) ... Selecting previously unselected package libgfortran5:arm64. Preparing to unpack .../048-libgfortran5_14-20240330-1_arm64.deb ... Unpacking libgfortran5:arm64 (14-20240330-1) ... Selecting previously unselected package libgfortran-13-dev:arm64. Preparing to unpack .../049-libgfortran-13-dev_13.2.0-23_arm64.deb ... Unpacking libgfortran-13-dev:arm64 (13.2.0-23) ... Selecting previously unselected package gfortran-13-aarch64-linux-gnu. Preparing to unpack .../050-gfortran-13-aarch64-linux-gnu_13.2.0-23_arm64.deb ... Unpacking gfortran-13-aarch64-linux-gnu (13.2.0-23) ... Selecting previously unselected package gfortran-13. Preparing to unpack .../051-gfortran-13_13.2.0-23_arm64.deb ... Unpacking gfortran-13 (13.2.0-23) ... Selecting previously unselected package gfortran-aarch64-linux-gnu. Preparing to unpack .../052-gfortran-aarch64-linux-gnu_4%3a13.2.0-7_arm64.deb ... Unpacking gfortran-aarch64-linux-gnu (4:13.2.0-7) ... Selecting previously unselected package gfortran. Preparing to unpack .../053-gfortran_4%3a13.2.0-7_arm64.deb ... Unpacking gfortran (4:13.2.0-7) ... Selecting previously unselected package libhwloc15:arm64. Preparing to unpack .../054-libhwloc15_2.10.0-1+b1_arm64.deb ... Unpacking libhwloc15:arm64 (2.10.0-1+b1) ... Selecting previously unselected package hwloc-nox. Preparing to unpack .../055-hwloc-nox_2.10.0-1+b1_arm64.deb ... Unpacking hwloc-nox (2.10.0-1+b1) ... Selecting previously unselected package libnl-3-200:arm64. Preparing to unpack .../056-libnl-3-200_3.7.0-0.3_arm64.deb ... Unpacking libnl-3-200:arm64 (3.7.0-0.3) ... Selecting previously unselected package libnl-route-3-200:arm64. Preparing to unpack .../057-libnl-route-3-200_3.7.0-0.3_arm64.deb ... Unpacking libnl-route-3-200:arm64 (3.7.0-0.3) ... Selecting previously unselected package libibverbs1:arm64. Preparing to unpack .../058-libibverbs1_50.0-2+b1_arm64.deb ... Unpacking libibverbs1:arm64 (50.0-2+b1) ... Selecting previously unselected package ibverbs-providers:arm64. Preparing to unpack .../059-ibverbs-providers_50.0-2+b1_arm64.deb ... Unpacking ibverbs-providers:arm64 (50.0-2+b1) ... Selecting previously unselected package libz3-4:arm64. Preparing to unpack .../060-libz3-4_4.8.12-3.1+b2_arm64.deb ... Unpacking libz3-4:arm64 (4.8.12-3.1+b2) ... Selecting previously unselected package libllvm17t64:arm64. Preparing to unpack .../061-libllvm17t64_1%3a17.0.6-10_arm64.deb ... Unpacking libllvm17t64:arm64 (1:17.0.6-10) ... Selecting previously unselected package libamd-comgr2:arm64. Preparing to unpack .../062-libamd-comgr2_6.0+git20231212.4510c28+dfsg-3+b1_arm64.deb ... Unpacking libamd-comgr2:arm64 (6.0+git20231212.4510c28+dfsg-3+b1) ... Selecting previously unselected package libdrm-common. Preparing to unpack .../063-libdrm-common_2.4.120-2_all.deb ... Unpacking libdrm-common (2.4.120-2) ... Selecting previously unselected package libdrm2:arm64. Preparing to unpack .../064-libdrm2_2.4.120-2_arm64.deb ... Unpacking libdrm2:arm64 (2.4.120-2) ... Selecting previously unselected package libdrm-amdgpu1:arm64. 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Setting up libmagic1t64:arm64 (1:5.45-3) ... Setting up gettext-base (0.21-14+b1) ... Setting up m4 (1.4.19-4) ... Setting up libevent-2.1-7t64:arm64 (2.1.12-stable-8.1+b3) ... Setting up libcom-err2:arm64 (1.47.1~rc1-1) ... Setting up file (1:5.45-3) ... Setting up libelf1t64:arm64 (0.191-1+b1) ... Setting up libkrb5support0:arm64 (1.20.1-6+b1) ... Setting up tzdata (2024a-3) ... Current default time zone: 'Etc/UTC' Local time is now: Sun Jun 1 19:52:27 UTC 2025. Universal Time is now: Sun Jun 1 19:52:27 UTC 2025. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up autotools-dev (20220109.1) ... Setting up libz3-4:arm64 (4.8.12-3.1+b2) ... Setting up libblas3:arm64 (3.12.0-3) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/blas/libblas.so.3 to provide /usr/lib/aarch64-linux-gnu/libblas.so.3 (libblas.so.3-aarch64-linux-gnu) in auto mode Setting up libpkgconf3:arm64 (1.8.1-1+b2) ... Setting up libmunge2:arm64 (0.5.15-4) ... Setting up libexpat1-dev:arm64 (2.6.2-1) ... Setting up libx11-data (2:1.8.7-1) ... Setting up libglobalarrays-dev (5.8.2-3) ... Setting up libhwloc15:arm64 (2.10.0-1+b1) ... Setting up autopoint (0.21-14) ... Setting up pkgconf-bin (1.8.1-1+b2) ... Setting up libk5crypto3:arm64 (1.20.1-6+b1) ... Setting up libltdl7:arm64 (2.4.7-7+b1) ... Setting up libgfortran5:arm64 (14-20240330-1) ... Setting up autoconf (2.71-3) ... Setting up zlib1g-dev:arm64 (1:1.3.dfsg-3.1) ... Setting up libnuma1:arm64 (2.0.18-1) ... Setting up dwz (0.15-1+b1) ... Setting up sensible-utils (0.0.22) ... Setting up ocl-icd-libopencl1:arm64 (2.3.2-1+b1) ... Setting up libuchardet0:arm64 (0.0.8-1+b1) ... Setting up libnl-3-200:arm64 (3.7.0-0.3) ... Setting up openmpi-common (4.1.6-13) ... Setting up libarmci-mpi-dev:arm64 (0.3.1-beta+git20221202.f1c4dae-1) ... Setting up libsub-override-perl (0.10-1) ... Setting up netbase (6.4) ... Setting up libkrb5-3:arm64 (1.20.1-6+b1) ... 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Setting up liblapack3:arm64 (3.12.0-3) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/aarch64-linux-gnu/liblapack.so.3 (liblapack.so.3-aarch64-linux-gnu) in auto mode Setting up libxcb1:arm64 (1.17.0-1) ... Setting up gettext (0.21-14+b1) ... Setting up libtool (2.4.7-7) ... Setting up libevent-pthreads-2.1-7t64:arm64 (2.1.12-stable-8.1+b3) ... Setting up libedit2:arm64 (3.1-20230828-1+b1) ... Setting up libevent-openssl-2.1-7t64:arm64 (2.1.12-stable-8.1+b3) ... Setting up hwloc-nox (2.10.0-1+b1) ... Setting up gfortran-13-aarch64-linux-gnu (13.2.0-23) ... Setting up pkgconf:arm64 (1.8.1-1+b2) ... Setting up intltool-debian (0.35.0+20060710.6) ... Setting up libnuma-dev:arm64 (2.0.18-1) ... Setting up libnl-route-3-200:arm64 (3.7.0-0.3) ... Setting up dh-autoreconf (20) ... Setting up libltdl-dev:arm64 (2.4.7-7+b1) ... Setting up libjs-jquery-ui (1.13.2+dfsg-1) ... Setting up libllvm17t64:arm64 (1:17.0.6-10) ... Setting up gfortran-13 (13.2.0-23) ... Setting up liblapack-dev:arm64 (3.12.0-3) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/lapack/liblapack.so to provide /usr/lib/aarch64-linux-gnu/liblapack.so (liblapack.so-aarch64-linux-gnu) in auto mode Setting up libgssapi-krb5-2:arm64 (1.20.1-6+b1) ... Setting up pkg-config:arm64 (1.8.1-1+b2) ... Setting up libjs-sphinxdoc (7.2.6-6) ... Setting up libevent-extra-2.1-7t64:arm64 (2.1.12-stable-8.1+b3) ... Setting up libreadline8t64:arm64 (8.2-4) ... Setting up dh-strip-nondeterminism (1.13.1-1) ... Setting up libdrm2:arm64 (2.4.120-2) ... Setting up libnl-3-dev:arm64 (3.7.0-0.3) ... Setting up groff-base (1.23.0-3+b1) ... Setting up libx11-6:arm64 (2:1.8.7-1+b1) ... Setting up gfortran-aarch64-linux-gnu (4:13.2.0-7) ... Setting up libhwloc-dev:arm64 (2.10.0-1+b1) ... Setting up libamd-comgr2:arm64 (6.0+git20231212.4510c28+dfsg-3+b1) ... Setting up libdrm-amdgpu1:arm64 (2.4.120-2) ... Setting up libibverbs1:arm64 (50.0-2+b1) ... Setting up ibverbs-providers:arm64 (50.0-2+b1) ... Setting up openssh-client (1:9.7p1-4) ... Setting up po-debconf (1.0.21+nmu1) ... Setting up libpython3.11-stdlib:arm64 (3.11.9-1) ... Setting up libpython3.11t64:arm64 (3.11.9-1) ... Setting up libxext6:arm64 (2:1.3.4-1+b1) ... Setting up bc (1.07.1-4) ... Setting up man-db (2.12.1-1) ... Not building database; man-db/auto-update is not 'true'. Setting up gfortran (4:13.2.0-7) ... update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f95 (f95) in auto mode update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f77 (f77) in auto mode Setting up libxnvctrl0:arm64 (535.171.04-1) ... Setting up libnl-route-3-dev:arm64 (3.7.0-0.3) ... Setting up libpython3.11-dev:arm64 (3.11.9-1) ... Setting up libevent-dev (2.1.12-stable-8.1+b3) ... Setting up librdmacm1t64:arm64 (50.0-2+b1) ... Setting up libhsakmt1:arm64 (5.7.0-1) ... Setting up libpython3-stdlib:arm64 (3.11.8-1) ... Setting up libfabric1:arm64 (1.17.0-3+b1) ... Setting up python3.11 (3.11.9-1) ... Setting up libpython3-dev:arm64 (3.11.8-1) ... Setting up python3.11-dev (3.11.9-1) ... Setting up debhelper (13.15.3) ... Setting up python3 (3.11.8-1) ... Setting up libibverbs-dev:arm64 (50.0-2+b1) ... Setting up libhwloc-plugins:arm64 (2.10.0-1+b1) ... Setting up libpmix2t64:arm64 (5.0.2-3) ... Setting up libhsa-runtime64-1 (5.7.1-2) ... Setting up python3-lib2to3 (3.12.3-1) ... Setting up libpmix-dev:arm64 (5.0.2-3) ... Setting up python3-pkg-resources (68.1.2-2) ... Setting up python3-distutils (3.12.3-1) ... Setting up python3-setuptools (68.1.2-2) ... Setting up libamdhip64-5 (5.7.1-3) ... Setting up python3-dev (3.11.8-1) ... Setting up dh-python (6.20240422) ... Setting up libucx0:arm64 (1.16.0+ds-5) ... Setting up libopenmpi3t64:arm64 (4.1.6-13) ... Setting up libmpich12:arm64 (4.2.0-5.1) ... Setting up openmpi-bin (4.1.6-13) ... update-alternatives: using /usr/bin/mpirun.openmpi to provide /usr/bin/mpirun (mpirun) in auto mode update-alternatives: using /usr/bin/mpicc.openmpi to provide /usr/bin/mpicc (mpi) in auto mode Setting up mpich (4.2.0-5.1) ... Setting up mpi-default-bin (1.15) ... Setting up libscalapack-mpich2.2:arm64 (2.2.1-3.1) ... Setting up libmpich-dev:arm64 (4.2.0-5.1) ... update-alternatives: using /usr/include/aarch64-linux-gnu/mpich to provide /usr/include/aarch64-linux-gnu/mpi (mpi-aarch64-linux-gnu) in auto mode Setting up libscalapack-mpich-dev:arm64 (2.2.1-3.1) ... Setting up libopenmpi-dev:arm64 (4.1.6-13) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/openmpi/include to provide /usr/include/aarch64-linux-gnu/mpi (mpi-aarch64-linux-gnu) in auto mode Setting up libscalapack-openmpi2.2:arm64 (2.2.1-3.1) ... Setting up libscalapack-openmpi-dev:arm64 (2.2.1-3.1) ... Setting up mpi-default-dev (1.15) ... Setting up libscalapack-mpi-dev:arm64 (2.2.1-3.1) ... Processing triggers for libc-bin (2.37-19) ... Reading package lists... Building dependency tree... Reading state information... Reading extended state information... Initializing package states... Writing extended state information... Building tag database... -> Finished parsing the build-deps Reading package lists... Building dependency tree... Reading state information... fakeroot is already the newest version (1.34-1). 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. I: Building the package I: user script /srv/workspace/pbuilder/2383049/tmp/hooks/A99_set_merged_usr starting Not re-configuring usrmerge for unstable I: user script /srv/workspace/pbuilder/2383049/tmp/hooks/A99_set_merged_usr finished hostname: Name or service not known I: Running cd /build/reproducible-path/nwchem-7.2.2/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../nwchem_7.2.2-2_source.changes dpkg-buildpackage: info: source package nwchem dpkg-buildpackage: info: source version 7.2.2-2 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Drew Parsons dpkg-source --before-build . dpkg-buildpackage: info: host architecture arm64 fakeroot debian/rules clean dh clean --with python3 debian/rules override_dh_auto_clean make[1]: Entering directory '/build/reproducible-path/nwchem-7.2.2' rm -rf /build/reproducible-path/nwchem-7.2.2/pristine-src /build/reproducible-path/nwchem-7.2.2/build-mpich /build/reproducible-path/nwchem-7.2.2/build-openmpi dh_testdir (cd /build/reproducible-path/nwchem-7.2.2/src && make -j 12 realclean) make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src' ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** make -C config -f make_nwchem_config NWCHEM_MODULES=""pnnl"" make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/config' echo \# This configuration generated automatically on \ `hostname` at `date` > nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG cp census.skeleton ../stubs.F cp util_module_avail_F.begin ../util/util_module_avail.F for routine in argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input; do \ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done echo "# Request modules from user: pnnl" >> nwchem_config.h echo "# Request modules from user: pnnl" >> NWCHEM_CONFIG echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol" >> nwchem_config.h echo The following subdirectories are built: >> NWCHEM_CONFIG cat util_module_avail_F.end >> ../util/util_module_avail.F echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lfcidump -lgwmol" >> nwchem_config.h echo NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf >> NWCHEM_CONFIG echo "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb" >> nwchem_config.h echo corresponding to these libraries: >> NWCHEM_CONFIG echo "CONFIG_LIBS = " >> nwchem_config.h echo -lnwints -lanalyze -lguess -lbq -lcafe -lccca -lccsd -lcons -lcphf -ldangchang -lddscf -ldimqm -ldntmc -ldplot -ldrdy -ldriver -lesp -letrans -lfcidump -lpfft -lgradients -lgwmol -lhessian -lmcscf -lmm -lmoints -lmp2 -lnwdft -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -loptim -lperfm -lprepar -lproperty -lnwpython -lqhop -lqmd -lqmmm -lrimp2 -lselci -lsolvation -lspace -lstepper -lnwcutil -ltce -lvib -lvscf >> NWCHEM_CONFIG echo >> NWCHEM_CONFIG echo The following directories are excluded from the build: >> NWCHEM_CONFIG echo develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb >> NWCHEM_CONFIG echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG echo argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input >> NWCHEM_CONFIG echo "No extra configuration libraries were added " >> NWCHEM_CONFIG make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/config' ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src' ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64 || mkdir -p /build/reproducible-path/nwchem-7.2.2/lib/LINUX64 test -d /build/reproducible-path/nwchem-7.2.2/bin/LINUX64 || mkdir -p /build/reproducible-path/nwchem-7.2.2/bin/LINUX64 ./util/util_nwchem_version.bash make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src' rm -f nwchem nwchem_prof nwchem_test core *.o *.a *.trace makefile.bak rm -f *~ \#*\# Making realclean in tools make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tools' make[3]: warning: -j1 forced in makefile: resetting jobserver mode. make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tools' Making realclean in include make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/include' rm -f *.h *.fh rm -f *~ \#*\# make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/include' Making realclean in basis make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/basis' ( cd /build/reproducible-path/nwchem-7.2.2/src/config; make /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x ; ) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/config' gcc -g -o /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x depend.c /bin/rm -f depend.o make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/config' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/basis' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt testbasis testbasis.o libcheck if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ] ; then \ echo basis.o bas_input.o bas_contrib.o bas_checksum.o basisP.o bas_blas.o bas_blasP.o bas_vec_info.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/basis' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/basis' Making realclean in geom make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/geom' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/geom' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ] ; then \ echo geom.o geom_input.o geom_input2.o geom_3d.o geom_2d.o geom_1d.o geom_numcore.o geom_checksum.o geom_print_ecce.o geom_freeze.o geom_fragment.o geom_getsym.o geom_hnd.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/geom' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/geom' Making realclean in inp make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/inp' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/inp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test.o test hnd_rdfree.o hnd_rdfree if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ] ; then \ echo c_inp.o hnd_rdfree.o inp.o inp_irange.o inp_ilist.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/inp' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/inp' Making realclean in input make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/input' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwctask.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/input' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwctask.a ] ; then \ echo input_parse.o input_mem.o memory_input.o input_set.o input_title.o get_inp_file.o memory_def.o speech_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwctask.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwctask.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwctask.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/input' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/input' Making realclean in pstat make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/pstat' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/pstat' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ] ; then \ echo pstat_init.o pstat_term.o pstat_alloc.o pstat_on.o pstat_off.o pstat_pr_all.o pstat_free.o pstat_pr_han.o pstat_pr_det.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/pstat' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/pstat' Making realclean in rtdb make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/rtdb' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in hdbm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/rtdb/hdbm' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/rtdb/hdbm' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test.o words.o if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ] ; then \ echo hdbm.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/rtdb/hdbm' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/rtdb/hdbm' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/rtdb' Making clean in hdbm make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/rtdb/hdbm' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test.o words.o if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ] ; then \ echo hdbm.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/rtdb/hdbm' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test test.o rtdbtest rtdbtest.o interact context davetest context.o davetest.o interact.o rtdb_par_f2c.o cntx.o cntx testgr.o testgr if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ] ; then \ echo rtdb_f2c.o rtdb.o rtdb_seq.o context.o context_f2c.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/rtdb' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/rtdb' Making realclean in task make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/task' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwctask.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/task' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwctask.a ] ; then \ echo task_energy.o task_gradient.o task_optimize.o task_freq.o task_hessian.o task_dynamics.o task_thermo.o task_et.o task_save_state.o task.o task_input.o task_shell_input.o task_num_grad.o task_vscf.o task_property.o task_dntmc.o task_bsse.o task_jefftce.o task_ncc.o task_rfcf.o task_gwmol.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwctask.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwctask.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwctask.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/task' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/task' Making realclean in symmetry make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/symmetry' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/symmetry' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ] ; then \ echo dosymops.o gensym.o gensym_extra.o sym_vec_sym.o ludcmp.o mprint.o opprint.o sym_put_geom.o spgen.o sym_map.o sym_nwc.o sym_apply_op.o sym_get_cart.o sym_grp_name.o sym_ap_cart.o sym_cent_map.o sym_num_ops.o sym_ops_get.o sym_op_get.o sym_pr_all.o sym_geom_prj.o cross_prod.o sym_op_cname.o sym_pr_ops.o deter3.o sym_op_clsfy.o sym_tr_bs_op.o sym_bs_irrep.o sym_op_type.o sym_char_tab.o sym_pr_ctab.o sym_inv_op.o sym_mo_adapt.o sym_g_sym.o wrcell.o dctr.o sym_irrepname.o sym_abelian.o sym_mol.o sym_sym.o sym_mo_ap_op.o sym_bas_op.o sym_bs_ir_id.o sym_sh_pair.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/symmetry' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/symmetry' Making realclean in util make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/util' bash: line 1: /build/reproducible-path/nwchem-7.2.2/src/tools/install/bin/ga-config: No such file or directory /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies bash: line 1: /build/reproducible-path/nwchem-7.2.2/src/tools/install/bin/ga-config: No such file or directory Making realclean in md5 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/util/md5' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/util/md5' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt ftest mddriver if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ] ; then \ echo md5wrap.o md5.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/util/md5' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/util/md5' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/util' bash: line 1: /build/reproducible-path/nwchem-7.2.2/src/tools/install/bin/ga-config: No such file or directory Making clean in md5 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/util/md5' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt ftest mddriver if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ] ; then \ echo md5wrap.o md5.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/util/md5' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt testsolve testecce if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ] ; then \ echo output.o errquit.o ffflush.o print_center.o util_flush.o util_sgroup.o util_host.o util_date.o input_echo.o util_transpose.o ga_iter_diag.o ga_maxelt.o nga_idamax.o ga_pcg_min.o line_search.o ga_orth_vec.o ga_ran_fill.o ga_mix.o ga_list.o ga_it_proj.o ga_screen.o ga_get_diag.o fortchar.o seq_output.o ga_mat2col.o util_ch_brd.o two_ind_trn.o util_pname.o sread.o swrite.o banner.o util_print.o util_module_avail.o util_version.o util_nwchem_version.o util_ga_version.o util_nwchem_paper.o util_nwchem_srcdir.o utilc_nwchem_srcdir.o mk_fit_xf.o int_2c_ga.o ma_solve.o ga_local_mdot.o util_cpusec.o util_wallsec.o gather.o scatter.o ga_trace_dg.o lcopy.o util_legal.o util_file_name.o util_io_unit.o util_speak.o util_rtdb_speak.o util_file_copy.o util_file_unlink.o util_system.o util_sleep.o util_rtdb_state.o ecce_print.o util_random.o util_job.o util_getenv.o util_getarg.o util_nwchemrc.o util_md.o util_md_c.o util_md_sockets.o dgewr.o atoi.o indint.o util_wall_remain.o ga_normf.o corr_mk_ref.o nw_inp_from_file.o bgj.o movecs_ecce.o get_density.o moeig_read.o util_file_copy.o util_debug.o util_erf.o util_cflush.o util_ascii_plot.o util_length_scale.o ga_it2.o ga_lkain_ext.o ma_print.o freeze_input.o ga_extra.o util_test.o util_ga_test.o util.o util_patch_test.o util_ndim_test.o util_perf_test.o util_test_lu.o util_test_eig.o util_dra_test.o util_eaf_test.o util_sf_test.o ga_lkain_2cpl3.o util_io.o util_xyz.o util_ma.o util_mpinap.o ga_lkain_2cpl3_ext.o util_dgeev.o util_nwsort.o util_mygabcast.o util_getppn.o util_units.o util_align.o util_intrsc2008.o util_fadvise.o util_scalapack_info.o ga_conjg.o nwmolden.o ao_1prdm_read.o ao_1prdm_write.o util_strips.o util_poltensor.o util_mygop.o util_isnan.o util_blasthreads.o util_gpu_affinity.o util_scalapack.o util_norm2.o util_dpofa.o util_dgedi.o linux_cpu.o linux_shift.o linux_random.o erfc.o linux_printaff.o ga_matpow.o util_pack.o dabssum.o dabsmax.o dfill.o ifill.o mabyte_fill.o zfill.o ga_it_lsolve.o ga_it_orth.o ga_orthog.o idamin.o util_jacobi.o util_rsg.o stpr_sjacobi.o util_memcpy.o ga_accback.o ga_asymmetr.o util_gnxtval.o nxtask.o util_mirror.o ga_copy_dz.o dgami.o util_eri_cholesky.o util_test_cholesky.o util_sillysort.o util_talker.o icopy.o dsum.o dgefa.o zsum.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/util' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/util' Making realclean in peigs make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/peigs' (cd ./src/c; make clean) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/peigs/src/c' rm -f *.o maxx.f F*.f rm -f *.c.* make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/peigs/src/c' (cd ./src/f77; make clean) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/peigs/src/f77' rm -f *.o rm -f *.s rm -f dgetavec.f dlaebz2.f \ dstebz3.f \ neblw2.f sneblw2.f sstebz3.f rm -f F*.f make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/peigs/src/f77' (cd ./comm; make clean) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/peigs/comm' rm -f *.o rm -f mxbrod.f rm -f mxcombv1.f rm -f mxsubs.f rm -f sum.f peigs_dgop.f make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/peigs/comm' (cd ./ctof; make clean) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/peigs/ctof' rm -f *.o make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/peigs/ctof' rm -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpeigs.a rm -f peigs_stamp.LINUX64 include_stamp make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/peigs' Making realclean in perfm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/perfm' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libperfm.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/perfm' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libperfm.a ] ; then \ echo perfm_start.o perfm_end.o perfm_flop.o dist.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libperfm.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libperfm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libperfm.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/perfm' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/perfm' Making realclean in bq make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/bq' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libbq.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/bq' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libbq.a ] ; then \ echo bq_input.o bq_data.o bq_rtdb.o bq_main.o bq_force.o bq_checksum.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libbq.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libbq.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libbq.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/bq' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/bq' Making realclean in cons make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/cons' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libcons.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/cons' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libcons.a ] ; then \ echo cons_input.o cons.o cons_utils.o cons_springs.o cons_rtdb.o cons_data.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libcons.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libcons.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libcons.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/cons' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/cons' Making realclean in NWints make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in simint make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/simint' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in module make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/simint/module' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/simint/module' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ] ; then \ echo nwcsim_module.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/simint/module' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/simint/module' Making realclean in source make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/simint/source' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/simint/source' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ] ; then \ echo nwcsim_facef90.o nwcsim_hf2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/simint/source' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/simint/source' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ rm: cannot remove '/build/reproducible-path/nwchem-7.2.2/lib/LINUX64/': Is a directory make[4]: [../../config/makelib.h:350: realclean] Error 1 (ignored) make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/simint' Making clean in module make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/simint/module' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ] ; then \ echo nwcsim_module.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/simint/module' Making clean in source make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/simint/source' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ] ; then \ echo nwcsim_facef90.o nwcsim_hf2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/simint/source' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/simint' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/simint' Making realclean in api make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/api' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/api' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ] ; then \ echo cando_sp.o exact_mem.o exactd_mem.o int_1cg.o int_1e3ov.o int_1estv.o int_2e2c.o int_2e3c.o int_acc.o int_canon.o int_chk_init.o int_chk_sh.o int_func_c.o int_init.o int_l1e3ov.o int_l1eall.o int_l1eh1.o int_l1eke.o int_l1eov.o int_l1epe.o int_l2e2c.o int_l2e3c.o int_lgen1e.o int_mem.o int_mpolel.o int_mpole.o int_nint.o int_pgen1e.o int_projpole.o int_term.o intd_1eh1.o intd_1eov.o intd_1eke.o int_1er.o intd_2e2c.o intd_2e3c.o intd_2e4c.o intd_init.o intd_1e3ov.o intbd_init4c.o intbd_2e4c.o intbdd_init4c.o intbdd_2e4c.o intd_mpolel.o intdd_1eh1.o intdd_1eov.o intdd_2e2c.o intdd_2e4c.o intdd_2e3c.o intdd_init.o intp_1eke.o intp_1eov.o intp_1epe.o intp_2e2c.o intp_2e3c.o intp_mpole.o intp_1e1cpe.o intp_2e3ct.o intp_mpolel.o intp_txyz.o intpd_1e1cpe.o intpd_1eke.o intpd_1eov.o intpd_1epe.o intpd_2e2c.o intpd_2e3c.o intpd_2e3ct.o intpd_mpolel.o intso_1e.o intd_1eso.o int_1epvpe.o int_1epxvpe.o int_vstat1e.o intdd_1eecp1.o int_1eelec.o int_giaoh01.o int_giaoh11.o int_giaol10.o int_giaos10.o int_giaotv10.o int_giaobq10.o int_giao_2e.o int_pso.o int_dso.o int_ops.o intd_1epot.o intd_1epot_cosmo.o int_veloc.o int_angmom.o int_giaos100.o cosmo_screen.o int_hf1sp.o int_l2e4c.o intb_init4c.o intb_2e4c.o int_2e4c.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/api' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/api' Making realclean in int make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/int' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/int' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt showxyz showxyz.o int_order.o int_order if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ] ; then \ echo hf3PEabc.o hf3mkr.o hf3pot.o defNxyz.o getNxyz.o matchNxyz.o hf1.o hf1mke3.o hf1mkr.o hf1set3.o hf2.o hf2mkr.o hf2oi.o hf3OIs.o hfabc.o hfctr3.o hferi.o hferi_gen.o hfkei.o hfmke.o hfmkr.o hfnai.o hfset.o igamma.o hf_print.o hfreord_pq.o hf1_tran.o hf1_er.o hfnai_er.o case_impl.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/int' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/int' Making realclean in auxil make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/auxil' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/auxil' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt spherical spherical.o testnat testnat.o if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ] ; then \ echo do_chk_sum.o intb_chk_sum.o xlmcoeff.o xlm_norm.o int_spcart2.o int_norm.o nmcoef.o int_norm_2c.o int_chk_sum.o int_spcart.o nmcoef2c.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/auxil' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/auxil' Making realclean in ints_sp make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/ints_sp' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/ints_sp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ] ; then \ echo sp1111.o genr70.o init70.o qout70.o sinfo.o sp0000.o sp0001.o sp0011.o sp0101.o sp0111.o tabgen.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/ints_sp' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/ints_sp' Making realclean in deriv make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/deriv' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/deriv' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ] ; then \ echo hf1d.o hf2d.o hfd2oi.o hfderi.o hfdkei.o hfdnai.o hfefi.o hf2d_2a.o hf2d_2b.o hf2d_2a2b.o hf2d_3a.o hf2d_3a2b.o hf2d_all.o hf1PRtoAB.o hf2PRtoAB.o hf2QStoCD.o hfd3oi.o hf1d_cosmo.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/deriv' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/deriv' Making realclean in texas make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/texas' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/texas' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ] ; then \ echo abcd.o texas_face.o texas_hf.o big_service.o getmem.o amshift.o assemblx.o spec_block.o cshneg.o d_datlog.o spec_calcint.o spec_destiny.o memoha.o precalc2.o prepint.o lab_reorder.o rt123.o shells.o time.o zeroint.o missing.o texas_stubs.o uniq_pairs.o transfor.o gencon.o derivat.o convert.o test_calc2.o screened_op.o trobsa.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/texas' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/texas' Making realclean in ecp make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/ecp' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/ecp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test_drive if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ] ; then \ echo ecp_sph_tens.o int_ecp.o ecp_3j_prod.o ecp_angint.o ecp_angrad.o ecp_bess_asy.o ecp_bess_pow.o ecp_bessel.o ecp_c2slower.o ecp_c2snorm.o ecp_c2srecur.o ecp_cart_xpd.o ecp_contract.o ecp_cstrans.o ecp_down_m.o ecp_gaussq.o ecp_init_c2s.o ecp_init_con.o ecp_int0.o ecp_int1.o ecp_int2.o ecp_integral.o ecp_matpi.o ecp_matpr.o ecp_radint0.o ecp_radint1.o ecp_radint2.o ecp_s2ccoef.o ecp_s2cnorm.o ecp_so_ang.o ecp_t1_Q0asy.o ecp_t1_Q0int.o ecp_t1_Q0pow.o ecp_t1_Q1asy.o ecp_t1_Q1int.o ecp_t1_Q1pow.o ecp_t1_Q2int.o ecp_t2_ghq.o ecp_t2_init0.o ecp_t2_init1.o ecp_t2_init2.o ecp_t2_p0pow.o ecp_t2_p1pow.o ecp_up_k.o ecp_local0.o ecp_local1.o ecp_local2.o ecp_locint1.o ecp_skipint.o ecp_t1_Q3asy.o ecp_t1_Q3int.o ecp_t1_Q3pow.o ecp_t1_Q4int.o ecp_t2_init3.o ecp_t2_init4.o ecp_t2_p3pow.o ecp_t2_p4pow.o ecp_ind_var.o ecp_gradient.o ecp_grad_a.o ecp_grad_b.o ecp_hessian.o ecp_int2_k.o ecp_local2_k.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/ecp' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/ecp' Making realclean in hondo make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/hondo' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/hondo' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ] ; then \ echo hnd_vstat.o hnd_whermt.o hnd_rt123.o hnd_root4.o hnd_root5.o hnd_droot.o hnd_1emem.o hnd_init.o hnd_set_acc.o hnd_stvint.o hnd_sxyz.o hnd_txyz.o hnd_initd.o hnd_d1emem.o hnd_stvintd.o hnd_dderij.o hnd_sd_ij.o hnd_tvd_ij.o hnd_ddtxyz.o hnd_hlf_ij.o hnd_dervxyz.o hnd_initdd.o hnd_dd1emem.o hnd_stvintdd.o hnd_hlfd_ij.o hnd_deriaj.o hnd_terminate.o hnd_denxyz.o hnd_elfder.o hnd_giaoh01.o hnd_giaoh11.o hnd_giaol10.o hnd_giaos10.o hnd_giaotv10.o hnd_giaobq10.o hnd_giao_init.o hnd_giao_1emem.o hnd_giao_2emem.o hnd_giagnm.o hnd_giaspd.o hnd_jkbcdf.o hnd_oechrg.o hnd_xyzgia.o hnd_giahnd.o hnd_giaxyz.o hnd_jkwrys.o hnd_spdgia.o hnd_pso.o hnd_ops.o hnd_dso.o hnd_wleg.o hnd_herxyz.o hnd_init_1eelec.o hnd_init_dso.o hnd_init_1emtpl.o hnd_init_pso.o hnd_init_ops.o hnd_veloc.o hnd_angmom.o hnd_dipxyz.o hnd_init_dip.o hnd_giaos100.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/hondo' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/hondo' Making realclean in rel make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/rel' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/rel' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ] ; then \ echo int_rel_init.o rel_input.o modelpotential_input.o set_modelpotential_params.o get_modelpotential_params.o calc_modelpotential.o rel_onel.o rel_mpole.o rel_pvp.o rel_pot.o rel_pot2.o rel_2e4c_sf.o rel_LLSS.o rel_SSLL.o rel_SSSS.o rel_init_con.o dmd_input.o zora_input.o x2c_input.o rel_oneld.o rel_oneld_cosmo.o rel_2e4cd_sf.o rel_LLSSd.o rel_SSLLd.o rel_SSSSd.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/rel' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/rel' Making realclean in dk make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/dk' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/dk' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ] ; then \ echo int_1edk_ga.o dk_input.o dkdiv_energy.o int_pxvp_ga.o int_1edkso_ga.o bas_create_uncont.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/dk' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/dk' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints' Making clean in simint make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/simint' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in module make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/simint/module' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ] ; then \ echo nwcsim_module.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/simint/module' Making clean in source make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/simint/source' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ] ; then \ echo nwcsim_facef90.o nwcsim_hf2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/simint/source' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/simint' Making clean in api make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/api' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ] ; then \ echo cando_sp.o exact_mem.o exactd_mem.o int_1cg.o int_1e3ov.o int_1estv.o int_2e2c.o int_2e3c.o int_acc.o int_canon.o int_chk_init.o int_chk_sh.o int_func_c.o int_init.o int_l1e3ov.o int_l1eall.o int_l1eh1.o int_l1eke.o int_l1eov.o int_l1epe.o int_l2e2c.o int_l2e3c.o int_lgen1e.o int_mem.o int_mpolel.o int_mpole.o int_nint.o int_pgen1e.o int_projpole.o int_term.o intd_1eh1.o intd_1eov.o intd_1eke.o int_1er.o intd_2e2c.o intd_2e3c.o intd_2e4c.o intd_init.o intd_1e3ov.o intbd_init4c.o intbd_2e4c.o intbdd_init4c.o intbdd_2e4c.o intd_mpolel.o intdd_1eh1.o intdd_1eov.o intdd_2e2c.o intdd_2e4c.o intdd_2e3c.o intdd_init.o intp_1eke.o intp_1eov.o intp_1epe.o intp_2e2c.o intp_2e3c.o intp_mpole.o intp_1e1cpe.o intp_2e3ct.o intp_mpolel.o intp_txyz.o intpd_1e1cpe.o intpd_1eke.o intpd_1eov.o intpd_1epe.o intpd_2e2c.o intpd_2e3c.o intpd_2e3ct.o intpd_mpolel.o intso_1e.o intd_1eso.o int_1epvpe.o int_1epxvpe.o int_vstat1e.o intdd_1eecp1.o int_1eelec.o int_giaoh01.o int_giaoh11.o int_giaol10.o int_giaos10.o int_giaotv10.o int_giaobq10.o int_giao_2e.o int_pso.o int_dso.o int_ops.o intd_1epot.o intd_1epot_cosmo.o int_veloc.o int_angmom.o int_giaos100.o cosmo_screen.o int_hf1sp.o int_l2e4c.o intb_init4c.o intb_2e4c.o int_2e4c.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/api' Making clean in int make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/int' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt showxyz showxyz.o int_order.o int_order if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ] ; then \ echo hf3PEabc.o hf3mkr.o hf3pot.o defNxyz.o getNxyz.o matchNxyz.o hf1.o hf1mke3.o hf1mkr.o hf1set3.o hf2.o hf2mkr.o hf2oi.o hf3OIs.o hfabc.o hfctr3.o hferi.o hferi_gen.o hfkei.o hfmke.o hfmkr.o hfnai.o hfset.o igamma.o hf_print.o hfreord_pq.o hf1_tran.o hf1_er.o hfnai_er.o case_impl.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/int' Making clean in auxil make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/auxil' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt spherical spherical.o testnat testnat.o if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ] ; then \ echo do_chk_sum.o intb_chk_sum.o xlmcoeff.o xlm_norm.o int_spcart2.o int_norm.o nmcoef.o int_norm_2c.o int_chk_sum.o int_spcart.o nmcoef2c.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/auxil' Making clean in ints_sp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/ints_sp' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ] ; then \ echo sp1111.o genr70.o init70.o qout70.o sinfo.o sp0000.o sp0001.o sp0011.o sp0101.o sp0111.o tabgen.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/ints_sp' Making clean in deriv make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/deriv' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ] ; then \ echo hf1d.o hf2d.o hfd2oi.o hfderi.o hfdkei.o hfdnai.o hfefi.o hf2d_2a.o hf2d_2b.o hf2d_2a2b.o hf2d_3a.o hf2d_3a2b.o hf2d_all.o hf1PRtoAB.o hf2PRtoAB.o hf2QStoCD.o hfd3oi.o hf1d_cosmo.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/deriv' Making clean in texas make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/texas' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ] ; then \ echo abcd.o texas_face.o texas_hf.o big_service.o getmem.o amshift.o assemblx.o spec_block.o cshneg.o d_datlog.o spec_calcint.o spec_destiny.o memoha.o precalc2.o prepint.o lab_reorder.o rt123.o shells.o time.o zeroint.o missing.o texas_stubs.o uniq_pairs.o transfor.o gencon.o derivat.o convert.o test_calc2.o screened_op.o trobsa.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/texas' Making clean in ecp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/ecp' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test_drive if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ] ; then \ echo ecp_sph_tens.o int_ecp.o ecp_3j_prod.o ecp_angint.o ecp_angrad.o ecp_bess_asy.o ecp_bess_pow.o ecp_bessel.o ecp_c2slower.o ecp_c2snorm.o ecp_c2srecur.o ecp_cart_xpd.o ecp_contract.o ecp_cstrans.o ecp_down_m.o ecp_gaussq.o ecp_init_c2s.o ecp_init_con.o ecp_int0.o ecp_int1.o ecp_int2.o ecp_integral.o ecp_matpi.o ecp_matpr.o ecp_radint0.o ecp_radint1.o ecp_radint2.o ecp_s2ccoef.o ecp_s2cnorm.o ecp_so_ang.o ecp_t1_Q0asy.o ecp_t1_Q0int.o ecp_t1_Q0pow.o ecp_t1_Q1asy.o ecp_t1_Q1int.o ecp_t1_Q1pow.o ecp_t1_Q2int.o ecp_t2_ghq.o ecp_t2_init0.o ecp_t2_init1.o ecp_t2_init2.o ecp_t2_p0pow.o ecp_t2_p1pow.o ecp_up_k.o ecp_local0.o ecp_local1.o ecp_local2.o ecp_locint1.o ecp_skipint.o ecp_t1_Q3asy.o ecp_t1_Q3int.o ecp_t1_Q3pow.o ecp_t1_Q4int.o ecp_t2_init3.o ecp_t2_init4.o ecp_t2_p3pow.o ecp_t2_p4pow.o ecp_ind_var.o ecp_gradient.o ecp_grad_a.o ecp_grad_b.o ecp_hessian.o ecp_int2_k.o ecp_local2_k.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/ecp' Making clean in hondo make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/hondo' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ] ; then \ echo hnd_vstat.o hnd_whermt.o hnd_rt123.o hnd_root4.o hnd_root5.o hnd_droot.o hnd_1emem.o hnd_init.o hnd_set_acc.o hnd_stvint.o hnd_sxyz.o hnd_txyz.o hnd_initd.o hnd_d1emem.o hnd_stvintd.o hnd_dderij.o hnd_sd_ij.o hnd_tvd_ij.o hnd_ddtxyz.o hnd_hlf_ij.o hnd_dervxyz.o hnd_initdd.o hnd_dd1emem.o hnd_stvintdd.o hnd_hlfd_ij.o hnd_deriaj.o hnd_terminate.o hnd_denxyz.o hnd_elfder.o hnd_giaoh01.o hnd_giaoh11.o hnd_giaol10.o hnd_giaos10.o hnd_giaotv10.o hnd_giaobq10.o hnd_giao_init.o hnd_giao_1emem.o hnd_giao_2emem.o hnd_giagnm.o hnd_giaspd.o hnd_jkbcdf.o hnd_oechrg.o hnd_xyzgia.o hnd_giahnd.o hnd_giaxyz.o hnd_jkwrys.o hnd_spdgia.o hnd_pso.o hnd_ops.o hnd_dso.o hnd_wleg.o hnd_herxyz.o hnd_init_1eelec.o hnd_init_dso.o hnd_init_1emtpl.o hnd_init_pso.o hnd_init_ops.o hnd_veloc.o hnd_angmom.o hnd_dipxyz.o hnd_init_dip.o hnd_giaos100.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/hondo' Making clean in rel make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/rel' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ] ; then \ echo int_rel_init.o rel_input.o modelpotential_input.o set_modelpotential_params.o get_modelpotential_params.o calc_modelpotential.o rel_onel.o rel_mpole.o rel_pvp.o rel_pot.o rel_pot2.o rel_2e4c_sf.o rel_LLSS.o rel_SSLL.o rel_SSSS.o rel_init_con.o dmd_input.o zora_input.o x2c_input.o rel_oneld.o rel_oneld_cosmo.o rel_2e4cd_sf.o rel_LLSSd.o rel_SSLLd.o rel_SSSSd.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/rel' Making clean in dk make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/dk' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ] ; then \ echo int_1edk_ga.o dk_input.o dkdiv_energy.o int_pxvp_ga.o int_1edkso_ga.o bas_create_uncont.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints/dk' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ] ; then \ echo intgrl_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/NWints' Making realclean in atomscf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/atomscf' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libguess.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/atomscf' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libguess.a ] ; then \ echo orderd.o atcond.o denat.o hamild.o outpud.o teigd.o atomd.o denmad.o jacod.o pdfded.o tracd.o cmergd.o densid.o densid_z.o oeigd.o shalfd.o trafsd.o creded.o square.o tramad.o datoms.o guess_mem.o starcd.o writel.o printbasis.o atscf_ecp.o atscf_atscf.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libguess.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libguess.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libguess.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/atomscf' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/atomscf' Making realclean in ddscf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/ddscf' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in fast make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/ddscf/fast' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libddscf.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/ddscf/fast' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt solver testcheby testcarttrans testfmm if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libddscf.a ] ; then \ echo xlm_poles.o cheby.o fastj.o anlfit.o cart_trans.o gauleg.o solver.o vsint.o pot_shell.o fastj_direct.o fastj_range.o newfmm.o potential.o sint.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libddscf.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libddscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libddscf.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/ddscf/fast' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/ddscf/fast' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libddscf.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/ddscf' Making clean in fast make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/ddscf/fast' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt solver testcheby testcarttrans testfmm if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libddscf.a ] ; then \ echo xlm_poles.o cheby.o fastj.o anlfit.o cart_trans.o gauleg.o solver.o vsint.o pot_shell.o fastj_direct.o fastj_range.o newfmm.o potential.o sint.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libddscf.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libddscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libddscf.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/ddscf/fast' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libddscf.a ] ; then \ echo comp4_bins.o rhf_dens_mo.o comp4_insert.o scf_sym_adap.o rhf_fock_2e.o scf_lindep.o ga_atom_blk.o scf.o scf_input.o schwarz_init.o vectors_inp.o int_1e_ga.o schwarz_pr.o ga_orth_mos.o schwarz_tidy.o int2e_balance.o vectors.o scf_sym_scr.o ga_cont_blk.o mull_pop.o matrix_exp.o scf_pstat.o schwarz_max.o movecs_proj.o movecs_rotate.o movecs_molden.o ao_fock_2e.o movecs_lock.o fock_2e.o fock_2e_et.o fock_2e_a.o print_aoints.o fock_2e_b.o fock_upd_blk.o fock_2e_cdf.o fock_get_blk.o scf_vec_guess.o rohf.o rohf_nr_sol.o rohf_wrap.o rohf_canon.o rohf_k2cf.o rohf_precon.o rohf_shift.o rohf_step.o rohf_rotate.o scf_get_info.o rohf_hscale.o fock_2e_file.o rohf_hxx.o rohf_fock.o rohf_fock2g.o scf_movecs.o rohf_h1e.o rohf_h2e.o rohf_hessv2.o rohf_dens.o movecs_phase.o riscf_fock.o riscf_init.o riscf_list.o riscf_tidy.o riscf_trans.o do_riscf.o riscf_dovecs.o rohf_scat.o uhf.o uhf_hessv.o fock_2e_rep.o uhf_hessv2.o print_integ_list.o print_1eints.o riscf_square.o riscf_io.o movecs_pr_anal.o rohf_lagr.o rohf_diis.o rhf_fock.o multipole.o ga_mat_to_vec.o movecs_frag.o localize.o int_dip_ga.o fock_xc.o fock_j_fit.o rohf_jkfac.o uhf_jkfac.o rohf_hessv3.o fock_2e_cam.o ga_get2eri.o scf_frozemb.o print_integrals.o rohf_hessv2_ext.o rohf_hessv3_ext.o uhf_hessv2_ext.o uhf_precond_ext.o scf_dump_evp_input.o cosmo_fock.o fock_2e_task.o fock_2e_slab.o fock_2e_lab.o fock_labscal.o fock_2e_c.o fock_scale.o fock_densc.o schwarz_atom.o comp4_ext.o schwarz_sh.o int2e_file.o ao_replicated.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libddscf.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libddscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libddscf.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/ddscf' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/ddscf' Making realclean in gradients make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/gradients' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libgradients.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/gradients' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libgradients.a ] ; then \ echo gradients.o grad_force.o grad1.o scf_gradient.o grad_dens.o grad_inp.o ga_reorder.o grad2.o grad_getdens.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libgradients.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libgradients.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libgradients.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/gradients' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/gradients' Making realclean in moints make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/moints' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libmoints.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/moints' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libmoints.a ] ; then \ echo atwtest.o direct_mp2.o mointdriver.o moints_1e.o moints_dbg.o moints_gsh1.o moints_mem.o moints_mp2.o moints_stats.o moints_full.o sifs0.o sifs1.o moints_cutil.o moints_aodisk.o moints_2x.o moints_6x.o moints_semi.o moints_aux2.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libmoints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libmoints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libmoints.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/moints' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/moints' Making realclean in nwdft make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I./include -I./grid -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in include make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/include' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ rm: cannot remove '/build/reproducible-path/nwchem-7.2.2/lib/LINUX64/': Is a directory make[4]: [../../config/makelib.h:351: realclean] Error 1 (ignored) make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/include' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/include' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/include' Making realclean in input_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/input_dft' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/input_dft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo dft_inpana.o dft_rdinput.o dft_input.o tol_inp.o grid_inp.o xc_inp.o conv_inp.o cdft_inp.o occup_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/input_dft' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/input_dft' Making realclean in scf_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/scf_dft' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/scf_dft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo dft_swapab.o dft_main0d.o dft_scf.o print_irrep_occp.o dft_fockbld.o dft_scfutil.o dft_symbr.o dft_pstat.o fukui.o dft_canorg.o dft_diagn.o dft_dump_info.o dft_fant.o dft_printinfo.o dft_fock_efield.o dft_frac_mo.o dft_nwmolden.o dft_spinflip.o dft_quickguess.o dft_dencvg.o dft_densm.o dft_invdiag.o dft_mxovl.o dft_mxspin_ovlp.o dft_s2_value.o dft_scfcvg.o diis_bld12.o diis_bsolve.o diis_core.o diis_driver.o diis_hamwgt.o dft_fdist_init.o cdft_util.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/scf_dft' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/scf_dft' Making realclean in scf_dft_cg make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/scf_dft_cg' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/scf_dft_cg' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo dft_cscf.o dft_cg_answer.o dft_cg_info.o dft_cg_guess.o dft_cg_solve.o dft_get_conv_info.o dft_roks_energy.o dft_roks_fock.o dft_roks_hessv_2e.o dft_roks_hessv.o dft_roks_hessv_xx.o dft_roks_nr_solve.o dft_roks_search_precond.o dft_roks_step_energy.o dft_uks_energy.o dft_uks_hessv_2e.o dft_uks_hessv.o dft_uks_nr_solve.o dft_uks_search_precond.o dft_uks_step_energy.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/scf_dft_cg' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/scf_dft_cg' Making realclean in so_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/so_dft' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/so_dft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo dft_scf_so.o dft_densmso.o dft_mxovlso.o grad_force_so.o dft_gradients_so.o vectors_so.o grad_dens_so.o grad1_so.o diis_driver_so.o diis_bsolve_so.o diis_bld12_so.o diis_core_so.o diis_hamwgt_so.o diis_refvec_so.o movecs_anal_so.o getv_coul.o getv_exch0.o getv_exchX.o getv_exchY.o getv_exchZ.o getv_dftxc.o sym_mo_adapt_so.o sym_char_tab_so.o scf_sym_adap_so.o sym_mo_ap_op_so.o sym_op_clsfy_so.o ga_orth_mos_so.o ga_orthog_so.o sym_op_cname_so.o grad_dens_so2.o dft_scf_utils_so.o dft_frac_mo_so.o xc_exso.o getv_coul_cd.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/so_dft' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/so_dft' Making realclean in coulomb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/coulomb' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/coulomb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo dft_3cincor.o dft_mem3c.o dft_fitcd.o dft_fitvc.o dft_genspm.o dft_get2eri.o dft_getspm.o dft_getvc.o dft_n3c.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/coulomb' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/coulomb' Making realclean in xc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/xc' cat: /build/reproducible-path/nwchem-7.2.2/src/tools/build/global/src/ga-wapi.h: No such file or directory /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies cat: /build/reproducible-path/nwchem-7.2.2/src/tools/build/global/src/ga-wapi.h: No such file or directory rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/xc' cat: /build/reproducible-path/nwchem-7.2.2/src/tools/build/global/src/ga-wapi.h: No such file or directory rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo xc_getv.o xc_getvxc.o xc_exact_pot.o xc_sicutil.o chk_dens.o xc_util.o xc_chkdispauto.o xc_vdw_init.o 2ndDerivB97.o xc_eval_basis.o a_dist.o eumac.o qdist.o scat_mat.o setACmat.o xc_becke88.o xc_dirac.o xc_bnl.o xc_dirac_screened.o xc_fitv.o xc_hfexch.o xc_lebedev.o xc_lyp88.o xc_perdew86.o xc_perdew91.o xc_pw91lda.o xc_pw91ldag.o xc_rhogen.o xc_tabcd.o xc_vwn_1.o xc_vwn_1_rpa.o xc_vwn_2.o xc_vwn_3.o xc_vwn_4.o xc_vwn_5.o xc_eval_fnl.o xc_fd.o xc_pbe96.o xc_hcth.o xc_xpbe96.o xc_xpw91.o xc_tarad.o xc_murakn.o xc_mitani.o xc_mitani_dmr.o xc_signf.o xc_gill96.o xc_xmpw91.o xc_xpkzb99.o xc_cpkzb99.o xc_cMpbe96.o xc_xtpss03.o xc_ctpss03.o xc_oep.o xc_sic_pert.o xc_sic.o localize_sic.o xc_optx.o xc_optc.o xc_atomblock.o xc_replicated.o xc_ft97.o xc_lb94.o xc_cs00.o xc_op.o xc_kop.o xc_bc95.o xc_xm05.o xc_cm05.o xc_xpw6.o xc_xvs98.o xc_cvs98.o xc_xm06.o xc_cm06.o xc_spbe96.o xc_kt1.o xc_ssbD_1.o xc_s12x.o xc_cams12x.o xc_camb88.o xc_att_xc.o xc_camxpbe96.o xc_camxlsd.o xc_xwpbe.o hse08fx.o xc_xsogga.o xc_xmvs15.o xc_xm11.o xc_xmn12.o xc_xmn15.o xc_csogga.o xc_cm11.o steric_energy.o xc_3rd_deriv.o xc_xpw86.o xc_xb86b.o xc_xdm.o ts_eval_fnl.o ts_tf.o ts_vw.o xc_xn12.o xc_xscan.o xc_cscan.o xc_xscanl.o xc_cscanl.o ts_pc.o xc_xncap.o xc_xncap.o xc_xr2scan.o xc_xr2scanl.o xc_cr2scan.o xc_cr2scanl.o xc_hcth_extra.o xc_rhogen_adft.o xc_tabcd_adft.o xc_vdw_main.o xc_vdw_util.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/xc' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/xc' Making realclean in util make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/util' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/util' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo ga_chol.o ga_inverse.o ga_chol_seq.o ga_inv_seq.o dft_invio.o dft_print_mats.o dft_save_mats.o dft_gather.o dft_header.o dft_mpole.o dft_scatter.o dft_tstamp.o dft_pstrace.o get_col.o movecs_log.o nbf_to_mbf.o dft_frozemb.o dft_frozemb_fde.o int_1e_fde.o sca_lab_mat.o dft_utilmap.o dft_genutils.o dft_cholinv.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/util' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/util' Making realclean in grid make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/grid' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/grid' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo grid_sic.o grid_checks.o grid_balance.o grid_rtrunc.o grid_atom_type_info.o grid_setquad.o grid_setrad.o grid_setang.o grid_invariant.o grid_list.o grid_setspac_params.o grid_acc_def.o grid_memory.o grid_update_rtdb.o grid_tasks.o grid_gen_pts.o grid_setspac.o grid_neighb.o grid_cleanup.o grid_gaussq.o grid_finpts.o grid_init.o grid_loop.o grid_xcfit.o dftg_loop.o grid_pscreen.o grid_sphere.o grid_ssw.o grid_sswold.o grid_beckew.o grid_signf.o grid_quadvw.o grid_quadvw1.o grid_bucket.o grid_utils.o grid_sympts.o grid_qpts.o grid_quadv0.o grid_quadv0a.o grid_quadv0b.o grid_quadvc.o grid_file.o grid_eaf.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/grid' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/grid' Making realclean in dftgrad make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/dftgrad' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/dftgrad' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo dft_grad_top.o dftg_getxc.o dft_gradients.o grad_dft.o dftg_getcden.o dftg_getxden.o dftg_gridpart.o dftg_gridv0a.o dftg_gridv0.o dftg_gridv0b.o dftg_griddo.o dftg_cdfit.o dftg_quadv0b.o dftg_grad2.o dint_block_j.o j_nucder_gen.o dftg_beckew.o dftg_wderiv.o dftg_gridssw.o dftg_gridsswold.o dftg_signf.o dftg_quadv0b_adft.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/dftgrad' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/dftgrad' Making realclean in lr_tddft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/lr_tddft' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/lr_tddft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo tddft_energy.o tddft_input.o tddft_init.o tddft_memory.o tddft_iguess.o tddft_dump.o tddft_davidson.o tddft_transfm.o tddft_contract.o tddft_epsilon.o tddft_subspace.o tddft_diagon.o tddft_residual.o tddft_analysis.o tddft_dftinit.o tddft_finalize.o tddft_schmidt.o tddft_fold.o tddft_bdtensor.o tddft_patch.o tddft_civecs_phase.o tddft_oscstr.o tddft_checkpoint.o tddft_restart.o tddft_s2.o tddft_simpleso.o tddft_lanczos.o tddft_lanczos_tda.o tddft_dipole.o tddft_prod_v.o tddft_basis.o tddft_fock_fit.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/lr_tddft' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/lr_tddft' Making realclean in lr_tddft_grad make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/lr_tddft_grad' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/lr_tddft_grad' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo tddft_gradient.o tddft_grad_init.o tddft_grad_input.o tddft_grad_finalize.o tddft_grad_print_info.o tddft_grad_ints.o tddft_grad_print_header.o tddft_grad_e.o tddft_grad_root_e.o tddft_grad_mo.o tddft_grad_xy.o tddft_grad_load_mo.o tddft_grad_load_xy.o tddft_grad_tp.o tddft_grad_compute_t.o tddft_grad_r.o tddft_grad_compute_r.o tddft_grad_trans_mo2ao.o tddft_grad_trans_ao2mo.o tddft_grad_mat_to_vec.o tddft_grad_solve.o tddft_grad_epsilon.o tddft_grad_solve_product.o tddft_grad_solve_precond.o tddft_grad_compute_p.o tddft_grad_compute_w.o tddft_grad_g.o tddft_grad_compute_dao.o tddft_grad_get_dens.o tddft_grad_compute_g.o tddft_grad_grad_1e.o tddft_grad_grad_2e.o tddft_grad_make_2pdm.o tddft_grad_print_result.o tddft_grad_print_array.o tddft_grad_compute_energy.o tddft_grad_anti_symmetrize.o tddft_grad_gxc.o tddft_grad_irreg_acc.o tddft_grad_fxc_l.o tddft_grad_fix_exc.o tddft_grad_irreg_acc.o tddft_grad_store_gradient.o tddft_grad_util_print.o tddft_grad_solve_load_x.o tddft_grad_solve_save_x.o tddft_grad_dxcdmat.o tddft_grad_dfxc.o tddft_grad_quadv0b.o tddft_grad_dvxc.o tddft_grad_mpole.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/lr_tddft_grad' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/lr_tddft_grad' Making realclean in zora make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/zora' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/zora' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo dft_zora_utils.o dft_zora_utils_so.o dft_zora_rhos.o dft_zora_rhos_so.o gridNuclearPotential.o gridHartreePotential.o gridQpqPotential.o grid_moments.o zora_getv_EFGZ4_SR.o calc_zora_EFGZ4_SR.o zora_getv_EFGZ4_SO.o calc_zora_EFGZ4_SO.o dft_zora_NMR.o zora_getv_NMRCS_SR.o calc_zora_NMRCS_SR.o dft_zora_EPR.o dft_zora_EPR-NMR_tools.o zora_getv_EPR.o calc_zora_EPR.o dft_zora_Hyperfine.o zora_getv_HFine.o calc_zora_HFine.o zora_getv_sf.o zora_getv_so.o calc_EFG.o calc_zora_sf.o calc_zora_so.o calc_zora_facs.o get_ints_zora.o zora_recalc.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/zora' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/zora' Making realclean in spec make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/spec' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/spec' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo dft_vspec.o dft_vspec_so.o dft_xps.o dft_polfromsos.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/spec' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/spec' Making realclean in rt_tddft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in matutils make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/matutils' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/matutils' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo convert_d2z.o convert_z2d.o pack_buffer2ga.o pack_ga2buffer.o matutils.o dmat_io.o zmat_diag.o zmat_inv.o zmat_checksum.o zmat_spectral_range.o zmat_max_abs_elem.o zmat_compare.o elem_compare.o calc_array_partitioning.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/matutils' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/matutils' Making realclean in rtutils make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/rtutils' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/rtutils' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_debug.o rt_tddft_header.o rt_tddft_output.o rt_tddft_calc.o rt_tddft_movecs_gs.o rt_tddft_movecs_import.o rt_tddft_moocc.o rt_tddft_atpoint.o rt_tddft_snapshot.o rt_tddft_geom_mask.o rt_tddft_estimate_rem.o rt_tddft_vec_quad.o rt_tddft_excite.o rt_tddft_checkpoint.o rt_tddft_zora_scale.o rt_tddft_project.o rt_tddft_zdens_tot_movecs.o rt_tddft_restart.o rt_tddft_mocap.o rt_tddft_calc_dip_contribs.o rt_tddft_spatialcap.o rt_tddft_spatial_potential.o rt_tddft_complex_evals.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/rtutils' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/rtutils' Making realclean in input make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/input' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/input' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_input_put_defaults.o rt_tddft_input_field.o rt_tddft_input_print.o rt_tddft_input_excite.o rt_tddft_input_tolerances.o rt_tddft_input_visualization.o rt_tddft_input_mocap.o rt_tddft_input_spatialcap.o rt_tddft_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/input' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/input' Making realclean in init make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/init' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/init' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_init_coulcdfit.o rt_tddft_init_zora.o rt_tddft_init_dip_quad_ints.o rt_tddft_init_fock2e.o rt_tddft_init_geoms.o rt_tddft_init_rtdb.o rt_tddft_init_check_params.o rt_tddft_init_overlap_canorg.o rt_tddft_init_common.o rt_tddft_clean.o task_rt_tddft.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/init' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/init' Making realclean in canorg make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/canorg' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/canorg' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo canorg_check.o canorg_init.o canorg_clean.o canorg_trans.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/canorg' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/canorg' Making realclean in propagators make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/propagators' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/propagators' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo exp_diag.o exp_pseries.o prop_euler.o prop_magnus_exp_bch.o prop_magnus_exp_bch_scaled.o prop_magnus_ord2_interpol.o prop_magnus_ord2_step.o prop_rk4.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/propagators' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/propagators' Making realclean in closedshell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/closedshell' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/closedshell' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo zfock_cs_build.o zfock_cs_core.o zfock_cs_core_scalarzora.o zfock_cs_coulcdfit.o zfock_cs_coul_exchre.o zfock_cs_coul.o zfock_cs_dftxc.o zfock_cs_exch.o zfock_cs_exchim.o rt_tddft_cs_init.o rt_tddft_cs_confirm.o rt_tddft_cs_checkpoint.o rt_tddft_cs_restart.o rt_tddft_cs_prop.o rt_tddft_cs_tdfock.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/closedshell' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/closedshell' Making realclean in openshell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/openshell' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/openshell' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo zfock_os_build.o zfock_os_core.o zfock_os_core_scalarzora.o zfock_os_coul.o zfock_os_coulcdfit.o zfock_os_exch.o zfock_os_dftxc.o rt_tddft_os_init.o rt_tddft_os_confirm.o rt_tddft_os_prop.o rt_tddft_os_tdfock.o rt_tddft_os_checkpoint.o rt_tddft_os_print.o rt_tddft_os_restart.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/openshell' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/openshell' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft' Making clean in matutils make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/matutils' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo convert_d2z.o convert_z2d.o pack_buffer2ga.o pack_ga2buffer.o matutils.o dmat_io.o zmat_diag.o zmat_inv.o zmat_checksum.o zmat_spectral_range.o zmat_max_abs_elem.o zmat_compare.o elem_compare.o calc_array_partitioning.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/matutils' Making clean in rtutils make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/rtutils' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_debug.o rt_tddft_header.o rt_tddft_output.o rt_tddft_calc.o rt_tddft_movecs_gs.o rt_tddft_movecs_import.o rt_tddft_moocc.o rt_tddft_atpoint.o rt_tddft_snapshot.o rt_tddft_geom_mask.o rt_tddft_estimate_rem.o rt_tddft_vec_quad.o rt_tddft_excite.o rt_tddft_checkpoint.o rt_tddft_zora_scale.o rt_tddft_project.o rt_tddft_zdens_tot_movecs.o rt_tddft_restart.o rt_tddft_mocap.o rt_tddft_calc_dip_contribs.o rt_tddft_spatialcap.o rt_tddft_spatial_potential.o rt_tddft_complex_evals.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/rtutils' Making clean in input make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/input' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_input_put_defaults.o rt_tddft_input_field.o rt_tddft_input_print.o rt_tddft_input_excite.o rt_tddft_input_tolerances.o rt_tddft_input_visualization.o rt_tddft_input_mocap.o rt_tddft_input_spatialcap.o rt_tddft_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/input' Making clean in init make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/init' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_init_coulcdfit.o rt_tddft_init_zora.o rt_tddft_init_dip_quad_ints.o rt_tddft_init_fock2e.o rt_tddft_init_geoms.o rt_tddft_init_rtdb.o rt_tddft_init_check_params.o rt_tddft_init_overlap_canorg.o rt_tddft_init_common.o rt_tddft_clean.o task_rt_tddft.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/init' Making clean in canorg make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/canorg' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo canorg_check.o canorg_init.o canorg_clean.o canorg_trans.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/canorg' Making clean in propagators make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/propagators' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo exp_diag.o exp_pseries.o prop_euler.o prop_magnus_exp_bch.o prop_magnus_exp_bch_scaled.o prop_magnus_ord2_interpol.o prop_magnus_ord2_step.o prop_rk4.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/propagators' Making clean in closedshell make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/closedshell' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo zfock_cs_build.o zfock_cs_core.o zfock_cs_core_scalarzora.o zfock_cs_coulcdfit.o zfock_cs_coul_exchre.o zfock_cs_coul.o zfock_cs_dftxc.o zfock_cs_exch.o zfock_cs_exchim.o rt_tddft_cs_init.o rt_tddft_cs_confirm.o rt_tddft_cs_checkpoint.o rt_tddft_cs_restart.o rt_tddft_cs_prop.o rt_tddft_cs_tdfock.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/closedshell' Making clean in openshell make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/openshell' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo zfock_os_build.o zfock_os_core.o zfock_os_core_scalarzora.o zfock_os_coul.o zfock_os_coulcdfit.o zfock_os_exch.o zfock_os_dftxc.o rt_tddft_os_init.o rt_tddft_os_confirm.o rt_tddft_os_prop.o rt_tddft_os_tdfock.o rt_tddft_os_checkpoint.o rt_tddft_os_print.o rt_tddft_os_restart.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/openshell' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft' Making realclean in libxc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/libxc' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I. -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/libxc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo nwchem_libxc_read.o nwchem_libxc_util.o nwchem_libxc_compute.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/libxc' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/libxc' Making realclean in x2c make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/x2c' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I../../ddscf -I../grid -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/x2c' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo calc_x2c_w_scalar.o x2c_getw_scalar.o x2c_getw_efg_scalar.o x2c_getw_moment_scalar.o calc_x2c_1e_scalar_ga.o calc_x2c_efg_scalar.o calc_x2c_moment_scalar.o calc_x2c_wefg_scalar.o calc_x2c_wmoment_scalar.o calc_x2c_hfc_scalar.o write_x2c_pc_dip.o read_x2c_pc_dip.o x2c_scf.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/x2c' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/x2c' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft' Making clean in include make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/include' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/include' Making clean in input_dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/input_dft' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo dft_inpana.o dft_rdinput.o dft_input.o tol_inp.o grid_inp.o xc_inp.o conv_inp.o cdft_inp.o occup_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/input_dft' Making clean in scf_dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/scf_dft' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo dft_swapab.o dft_main0d.o dft_scf.o print_irrep_occp.o dft_fockbld.o dft_scfutil.o dft_symbr.o dft_pstat.o fukui.o dft_canorg.o dft_diagn.o dft_dump_info.o dft_fant.o dft_printinfo.o dft_fock_efield.o dft_frac_mo.o dft_nwmolden.o dft_spinflip.o dft_quickguess.o dft_dencvg.o dft_densm.o dft_invdiag.o dft_mxovl.o dft_mxspin_ovlp.o dft_s2_value.o dft_scfcvg.o diis_bld12.o diis_bsolve.o diis_core.o diis_driver.o diis_hamwgt.o dft_fdist_init.o cdft_util.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/scf_dft' Making clean in scf_dft_cg make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/scf_dft_cg' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo dft_cscf.o dft_cg_answer.o dft_cg_info.o dft_cg_guess.o dft_cg_solve.o dft_get_conv_info.o dft_roks_energy.o dft_roks_fock.o dft_roks_hessv_2e.o dft_roks_hessv.o dft_roks_hessv_xx.o dft_roks_nr_solve.o dft_roks_search_precond.o dft_roks_step_energy.o dft_uks_energy.o dft_uks_hessv_2e.o dft_uks_hessv.o dft_uks_nr_solve.o dft_uks_search_precond.o dft_uks_step_energy.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/scf_dft_cg' Making clean in so_dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/so_dft' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo dft_scf_so.o dft_densmso.o dft_mxovlso.o grad_force_so.o dft_gradients_so.o vectors_so.o grad_dens_so.o grad1_so.o diis_driver_so.o diis_bsolve_so.o diis_bld12_so.o diis_core_so.o diis_hamwgt_so.o diis_refvec_so.o movecs_anal_so.o getv_coul.o getv_exch0.o getv_exchX.o getv_exchY.o getv_exchZ.o getv_dftxc.o sym_mo_adapt_so.o sym_char_tab_so.o scf_sym_adap_so.o sym_mo_ap_op_so.o sym_op_clsfy_so.o ga_orth_mos_so.o ga_orthog_so.o sym_op_cname_so.o grad_dens_so2.o dft_scf_utils_so.o dft_frac_mo_so.o xc_exso.o getv_coul_cd.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/so_dft' Making clean in coulomb make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/coulomb' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo dft_3cincor.o dft_mem3c.o dft_fitcd.o dft_fitvc.o dft_genspm.o dft_get2eri.o dft_getspm.o dft_getvc.o dft_n3c.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/coulomb' Making clean in xc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/xc' cat: /build/reproducible-path/nwchem-7.2.2/src/tools/build/global/src/ga-wapi.h: No such file or directory /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies cat: /build/reproducible-path/nwchem-7.2.2/src/tools/build/global/src/ga-wapi.h: No such file or directory rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo xc_getv.o xc_getvxc.o xc_exact_pot.o xc_sicutil.o chk_dens.o xc_util.o xc_chkdispauto.o xc_vdw_init.o 2ndDerivB97.o xc_eval_basis.o a_dist.o eumac.o qdist.o scat_mat.o setACmat.o xc_becke88.o xc_dirac.o xc_bnl.o xc_dirac_screened.o xc_fitv.o xc_hfexch.o xc_lebedev.o xc_lyp88.o xc_perdew86.o xc_perdew91.o xc_pw91lda.o xc_pw91ldag.o xc_rhogen.o xc_tabcd.o xc_vwn_1.o xc_vwn_1_rpa.o xc_vwn_2.o xc_vwn_3.o xc_vwn_4.o xc_vwn_5.o xc_eval_fnl.o xc_fd.o xc_pbe96.o xc_hcth.o xc_xpbe96.o xc_xpw91.o xc_tarad.o xc_murakn.o xc_mitani.o xc_mitani_dmr.o xc_signf.o xc_gill96.o xc_xmpw91.o xc_xpkzb99.o xc_cpkzb99.o xc_cMpbe96.o xc_xtpss03.o xc_ctpss03.o xc_oep.o xc_sic_pert.o xc_sic.o localize_sic.o xc_optx.o xc_optc.o xc_atomblock.o xc_replicated.o xc_ft97.o xc_lb94.o xc_cs00.o xc_op.o xc_kop.o xc_bc95.o xc_xm05.o xc_cm05.o xc_xpw6.o xc_xvs98.o xc_cvs98.o xc_xm06.o xc_cm06.o xc_spbe96.o xc_kt1.o xc_ssbD_1.o xc_s12x.o xc_cams12x.o xc_camb88.o xc_att_xc.o xc_camxpbe96.o xc_camxlsd.o xc_xwpbe.o hse08fx.o xc_xsogga.o xc_xmvs15.o xc_xm11.o xc_xmn12.o xc_xmn15.o xc_csogga.o xc_cm11.o steric_energy.o xc_3rd_deriv.o xc_xpw86.o xc_xb86b.o xc_xdm.o ts_eval_fnl.o ts_tf.o ts_vw.o xc_xn12.o xc_xscan.o xc_cscan.o xc_xscanl.o xc_cscanl.o ts_pc.o xc_xncap.o xc_xncap.o xc_xr2scan.o xc_xr2scanl.o xc_cr2scan.o xc_cr2scanl.o xc_hcth_extra.o xc_rhogen_adft.o xc_tabcd_adft.o xc_vdw_main.o xc_vdw_util.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/xc' Making clean in util make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/util' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo ga_chol.o ga_inverse.o ga_chol_seq.o ga_inv_seq.o dft_invio.o dft_print_mats.o dft_save_mats.o dft_gather.o dft_header.o dft_mpole.o dft_scatter.o dft_tstamp.o dft_pstrace.o get_col.o movecs_log.o nbf_to_mbf.o dft_frozemb.o dft_frozemb_fde.o int_1e_fde.o sca_lab_mat.o dft_utilmap.o dft_genutils.o dft_cholinv.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/util' Making clean in grid make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/grid' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo grid_sic.o grid_checks.o grid_balance.o grid_rtrunc.o grid_atom_type_info.o grid_setquad.o grid_setrad.o grid_setang.o grid_invariant.o grid_list.o grid_setspac_params.o grid_acc_def.o grid_memory.o grid_update_rtdb.o grid_tasks.o grid_gen_pts.o grid_setspac.o grid_neighb.o grid_cleanup.o grid_gaussq.o grid_finpts.o grid_init.o grid_loop.o grid_xcfit.o dftg_loop.o grid_pscreen.o grid_sphere.o grid_ssw.o grid_sswold.o grid_beckew.o grid_signf.o grid_quadvw.o grid_quadvw1.o grid_bucket.o grid_utils.o grid_sympts.o grid_qpts.o grid_quadv0.o grid_quadv0a.o grid_quadv0b.o grid_quadvc.o grid_file.o grid_eaf.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/grid' Making clean in dftgrad make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/dftgrad' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo dft_grad_top.o dftg_getxc.o dft_gradients.o grad_dft.o dftg_getcden.o dftg_getxden.o dftg_gridpart.o dftg_gridv0a.o dftg_gridv0.o dftg_gridv0b.o dftg_griddo.o dftg_cdfit.o dftg_quadv0b.o dftg_grad2.o dint_block_j.o j_nucder_gen.o dftg_beckew.o dftg_wderiv.o dftg_gridssw.o dftg_gridsswold.o dftg_signf.o dftg_quadv0b_adft.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/dftgrad' Making clean in lr_tddft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/lr_tddft' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo tddft_energy.o tddft_input.o tddft_init.o tddft_memory.o tddft_iguess.o tddft_dump.o tddft_davidson.o tddft_transfm.o tddft_contract.o tddft_epsilon.o tddft_subspace.o tddft_diagon.o tddft_residual.o tddft_analysis.o tddft_dftinit.o tddft_finalize.o tddft_schmidt.o tddft_fold.o tddft_bdtensor.o tddft_patch.o tddft_civecs_phase.o tddft_oscstr.o tddft_checkpoint.o tddft_restart.o tddft_s2.o tddft_simpleso.o tddft_lanczos.o tddft_lanczos_tda.o tddft_dipole.o tddft_prod_v.o tddft_basis.o tddft_fock_fit.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/lr_tddft' Making clean in lr_tddft_grad make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/lr_tddft_grad' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo tddft_gradient.o tddft_grad_init.o tddft_grad_input.o tddft_grad_finalize.o tddft_grad_print_info.o tddft_grad_ints.o tddft_grad_print_header.o tddft_grad_e.o tddft_grad_root_e.o tddft_grad_mo.o tddft_grad_xy.o tddft_grad_load_mo.o tddft_grad_load_xy.o tddft_grad_tp.o tddft_grad_compute_t.o tddft_grad_r.o tddft_grad_compute_r.o tddft_grad_trans_mo2ao.o tddft_grad_trans_ao2mo.o tddft_grad_mat_to_vec.o tddft_grad_solve.o tddft_grad_epsilon.o tddft_grad_solve_product.o tddft_grad_solve_precond.o tddft_grad_compute_p.o tddft_grad_compute_w.o tddft_grad_g.o tddft_grad_compute_dao.o tddft_grad_get_dens.o tddft_grad_compute_g.o tddft_grad_grad_1e.o tddft_grad_grad_2e.o tddft_grad_make_2pdm.o tddft_grad_print_result.o tddft_grad_print_array.o tddft_grad_compute_energy.o tddft_grad_anti_symmetrize.o tddft_grad_gxc.o tddft_grad_irreg_acc.o tddft_grad_fxc_l.o tddft_grad_fix_exc.o tddft_grad_irreg_acc.o tddft_grad_store_gradient.o tddft_grad_util_print.o tddft_grad_solve_load_x.o tddft_grad_solve_save_x.o tddft_grad_dxcdmat.o tddft_grad_dfxc.o tddft_grad_quadv0b.o tddft_grad_dvxc.o tddft_grad_mpole.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/lr_tddft_grad' Making clean in zora make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/zora' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo dft_zora_utils.o dft_zora_utils_so.o dft_zora_rhos.o dft_zora_rhos_so.o gridNuclearPotential.o gridHartreePotential.o gridQpqPotential.o grid_moments.o zora_getv_EFGZ4_SR.o calc_zora_EFGZ4_SR.o zora_getv_EFGZ4_SO.o calc_zora_EFGZ4_SO.o dft_zora_NMR.o zora_getv_NMRCS_SR.o calc_zora_NMRCS_SR.o dft_zora_EPR.o dft_zora_EPR-NMR_tools.o zora_getv_EPR.o calc_zora_EPR.o dft_zora_Hyperfine.o zora_getv_HFine.o calc_zora_HFine.o zora_getv_sf.o zora_getv_so.o calc_EFG.o calc_zora_sf.o calc_zora_so.o calc_zora_facs.o get_ints_zora.o zora_recalc.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/zora' Making clean in spec make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/spec' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo dft_vspec.o dft_vspec_so.o dft_xps.o dft_polfromsos.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/spec' Making clean in rt_tddft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in matutils make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/matutils' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo convert_d2z.o convert_z2d.o pack_buffer2ga.o pack_ga2buffer.o matutils.o dmat_io.o zmat_diag.o zmat_inv.o zmat_checksum.o zmat_spectral_range.o zmat_max_abs_elem.o zmat_compare.o elem_compare.o calc_array_partitioning.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/matutils' Making clean in rtutils make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/rtutils' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_debug.o rt_tddft_header.o rt_tddft_output.o rt_tddft_calc.o rt_tddft_movecs_gs.o rt_tddft_movecs_import.o rt_tddft_moocc.o rt_tddft_atpoint.o rt_tddft_snapshot.o rt_tddft_geom_mask.o rt_tddft_estimate_rem.o rt_tddft_vec_quad.o rt_tddft_excite.o rt_tddft_checkpoint.o rt_tddft_zora_scale.o rt_tddft_project.o rt_tddft_zdens_tot_movecs.o rt_tddft_restart.o rt_tddft_mocap.o rt_tddft_calc_dip_contribs.o rt_tddft_spatialcap.o rt_tddft_spatial_potential.o rt_tddft_complex_evals.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/rtutils' Making clean in input make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/input' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_input_put_defaults.o rt_tddft_input_field.o rt_tddft_input_print.o rt_tddft_input_excite.o rt_tddft_input_tolerances.o rt_tddft_input_visualization.o rt_tddft_input_mocap.o rt_tddft_input_spatialcap.o rt_tddft_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/input' Making clean in init make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/init' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_init_coulcdfit.o rt_tddft_init_zora.o rt_tddft_init_dip_quad_ints.o rt_tddft_init_fock2e.o rt_tddft_init_geoms.o rt_tddft_init_rtdb.o rt_tddft_init_check_params.o rt_tddft_init_overlap_canorg.o rt_tddft_init_common.o rt_tddft_clean.o task_rt_tddft.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/init' Making clean in canorg make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/canorg' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo canorg_check.o canorg_init.o canorg_clean.o canorg_trans.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/canorg' Making clean in propagators make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/propagators' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo exp_diag.o exp_pseries.o prop_euler.o prop_magnus_exp_bch.o prop_magnus_exp_bch_scaled.o prop_magnus_ord2_interpol.o prop_magnus_ord2_step.o prop_rk4.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/propagators' Making clean in closedshell make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/closedshell' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo zfock_cs_build.o zfock_cs_core.o zfock_cs_core_scalarzora.o zfock_cs_coulcdfit.o zfock_cs_coul_exchre.o zfock_cs_coul.o zfock_cs_dftxc.o zfock_cs_exch.o zfock_cs_exchim.o rt_tddft_cs_init.o rt_tddft_cs_confirm.o rt_tddft_cs_checkpoint.o rt_tddft_cs_restart.o rt_tddft_cs_prop.o rt_tddft_cs_tdfock.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/closedshell' Making clean in openshell make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/openshell' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo zfock_os_build.o zfock_os_core.o zfock_os_core_scalarzora.o zfock_os_coul.o zfock_os_coulcdfit.o zfock_os_exch.o zfock_os_dftxc.o rt_tddft_os_init.o rt_tddft_os_confirm.o rt_tddft_os_prop.o rt_tddft_os_tdfock.o rt_tddft_os_checkpoint.o rt_tddft_os_print.o rt_tddft_os_restart.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft/openshell' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/rt_tddft' Making clean in libxc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/libxc' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I. -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo nwchem_libxc_read.o nwchem_libxc_util.o nwchem_libxc_compute.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/libxc' Making clean in x2c make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/x2c' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I../../ddscf -I../grid -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo calc_x2c_w_scalar.o x2c_getw_scalar.o x2c_getw_efg_scalar.o x2c_getw_moment_scalar.o calc_x2c_1e_scalar_ga.o calc_x2c_efg_scalar.o calc_x2c_moment_scalar.o calc_x2c_wefg_scalar.o calc_x2c_wmoment_scalar.o calc_x2c_hfc_scalar.o write_x2c_pc_dip.o read_x2c_pc_dip.o x2c_scf.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft/x2c' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ] ; then \ echo nwdft.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwdft' Making realclean in rimp2 make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/rimp2' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/librimp2.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/rimp2' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/librimp2.a ] ; then \ echo rimp2_v_e2.o mk_1d_shdist.o ga_by_shells.o xf3ci_step12.o xf3ci_step3.o xform_3cints.o occ_ranges.o rimp2_xf.o close_3ci.o open_3ci.o put_3cints.o get_3cints.o rimp2.o dgecop.o lnblnk.o max_v_diag.o rimp2_parm.o rimp2_timers.o pr_corr_map.o prog_report.o xf3ci_mem12.o iamax.o rimp2_e_mem.o rimp2_denom.o sum_pairs.o xf3ci_s12a.o xf3ci_s12b.o eval_3ci.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/librimp2.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/librimp2.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/librimp2.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/rimp2' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/rimp2' Making realclean in stepper make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/stepper' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libstepper.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/stepper' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libstepper.a ] ; then \ echo stpr_cheker.o stpr_chkhess.o stpr_clnstp.o stpr_cneed.o stpr_cross.o stpr_driver.o stpr_fndmde.o stpr_formup.o stpr_gmass.o stpr_hesupd.o stpr_hmass.o stpr_inihes.o stpr_face.o stpr_locate.o stpr_matout.o stpr_mgeom.o stpr_mkstep.o stpr_mktri.o stpr_output.o stpr_place.o stpr_pmat.o stpr_prntpd.o stpr_projec.o stpr_putbck.o stpr_readsq.o stpr_save.o stpr_setmass.o stpr_stepcor.o stpr_stepper.o stpr_sumstc.o stpr_tprntd.o stpr_uprcase.o stpr_wlkchk.o stpr_wrtsq.o stpr_walk.o stpr_datestp.o distang.o stpr_gh_at.o stpr_gen_aux.o stpr_filenames.o stepper_inp.o stpr_partit.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libstepper.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libstepper.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libstepper.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/stepper' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/stepper' Making realclean in driver make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/driver' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdriver.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/driver' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdriver.a ] ; then \ echo opt_drv.o oniom.o lbfgs.o lbfgs-b.o lbfgs-b_driver.o lbfgs_driver.o lbfgs_utils.o socket_driver.o driver_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdriver.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdriver.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdriver.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/driver' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/driver' Making realclean in optim make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/optim' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in deloc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/optim/deloc' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/optim/deloc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ] ; then \ echo deloc_driver.o deloc.o deloc_utils.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/optim/deloc' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/optim/deloc' Making realclean in mepgs make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/optim/mepgs' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/optim/mepgs' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ] ; then \ echo mepgs_drv.o mepgs_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/optim/mepgs' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/optim/mepgs' Making realclean in tropt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/optim/tropt' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/optim/tropt' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ] ; then \ echo tropt_drv.o tropt_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/optim/tropt' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/optim/tropt' Making realclean in neb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/optim/neb' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/optim/neb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ] ; then \ echo neb_input.o neb_drv.o neb_utils.o bead_list.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/optim/neb' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/optim/neb' Making realclean in string make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/optim/string' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/optim/string' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ] ; then \ echo string.o string_input.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/optim/string' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/optim/string' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/optim' Making clean in deloc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/optim/deloc' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ] ; then \ echo deloc_driver.o deloc.o deloc_utils.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/optim/deloc' Making clean in mepgs make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/optim/mepgs' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ] ; then \ echo mepgs_drv.o mepgs_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/optim/mepgs' Making clean in tropt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/optim/tropt' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ] ; then \ echo tropt_drv.o tropt_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/optim/tropt' Making clean in neb make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/optim/neb' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ] ; then \ echo neb_input.o neb_drv.o neb_utils.o bead_list.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/optim/neb' Making clean in string make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/optim/string' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ] ; then \ echo string.o string_input.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/optim/string' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/optim' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/optim' Making realclean in cphf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/cphf' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libcphf.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/cphf' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libcphf.a ] ; then \ echo cphf.o cphf_poliz.o cphf_solve.o cphf_solve2.o cphf_solve3.o cphf_solve4.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libcphf.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libcphf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libcphf.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/cphf' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/cphf' Making realclean in ccsd make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/ccsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libccsd.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/ccsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libccsd.a ] ; then \ echo ccden_driver.o ccden_interm2.o ccden_1pdm.o ccsd_driver.o ccsd_sortmo.o geaxpy.o ccden_2pdma.o ccden_2pdmb.o ccsd_mktau_ga.o ccden_interm4.o aoccsd2.o ccsd_itm.o ccsd_itm_omp.o ccsd_t2pm.o ccsd_pampt2.o ccsd_pampt3.o ccsd_idx1.o ccsd_idx2.o ccsd_idx34.o ccsd_tengy.o ccsd_trpdrv.o ccsd_trpdrv_nb.o ccsd_trpdrv_omp.o ccsd_trpdrv_omp_mixprec.o moints_trp.o ccsd.o ccsd_aux.o ccsd_get_param.o ccsd_iterdrv2.o ccsd_mktask.o ccsd_mkt2.o ccsd_pdiis.o ccsd_trpmo.o ccsd_rdtrpo.o qstat.o cputime.o rddcom.o ccsd_input.o ccsd_graddrv.o ccsd_zvecs.o ccsd_pzamp.o ccsd_zsig1.o ccsd_zsig2.o ccsd_z2pm.o ccsd_tzinta.o ccsd_tzintb.o ccsd_mem.o ccsd_pstat.o convert_single_double.o ccsd_aosig.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libccsd.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libccsd.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libccsd.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/ccsd' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/ccsd' Making realclean in vib make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/vib' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libvib.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/vib' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libvib.a ] ; then \ echo vib_bcalc.o vib_bend.o vib_bstr.o vib_cebdab.o vib_chkhess.o vib_clean.o vib_cross.o vib_dsquar.o vib_dtrngl.o vib_eckart.o vib_gtors.o vib_hmass.o vib_libe.o vib_nmass.o vib_prdata.o vib_prntpd.o vib_rdinp.o vib_setup.o vib_tors.o vib_transp.o vib_vib.o vib_wmatrix.o vib_wrtfreq.o vib_zmatin.o vib_intense.o vib_istep.o vib_thermo.o vib_phonon.o vib_zone_input.o vib_input.o vib_callg.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libvib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libvib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libvib.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/vib' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/vib' Making realclean in mcscf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/mcscf' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../ddscf -I./detci -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in detci make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/mcscf/detci' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libmcscf.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/mcscf/detci' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libmcscf.a ] ; then \ echo detci_aux.o detci_intf.o detci_dens.o detci_diag.o detci_sigma.o detci_spin.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libmcscf.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libmcscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libmcscf.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/mcscf/detci' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/mcscf/detci' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libmcscf.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/mcscf' Making clean in detci make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/mcscf/detci' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libmcscf.a ] ; then \ echo detci_aux.o detci_intf.o detci_dens.o detci_diag.o detci_sigma.o detci_spin.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libmcscf.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libmcscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libmcscf.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/mcscf/detci' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libmcscf.a ] ; then \ echo mcscf.o mcscf_b.o mcscf_aux.o mcscf_ci.o mcscf_etr.o mcscf_fcore.o mcscf_fock.o mcscf_hdiag.o mcscf_ohv.o mcscf_ohv1e.o mcscf_ohv2e.o mcscf_ohvao.o mcscf_ohvmo.o mcscf_orb.o mcscf_prcnd.o mcscf_debug.o mcscf_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libmcscf.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libmcscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libmcscf.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/mcscf' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/mcscf' Making realclean in prepar make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/prepar' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libprepar.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/prepar' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libprepar.a ] ; then \ echo prepar.o pre_admin.o pre_align.o pre_ang.o pre_atmscn.o pre_atnam.o pre_atnum.o pre_atom_index.o pre_atrad.o pre_atype.o pre_base.o pre_bnd.o pre_bonds.o pre_boxsiz.o pre_center.o pre_charge.o pre_check.o pre_collaps.o pre_crop.o pre_dih.o pre_dihimp.o pre_dihsel.o pre_dimens.o pre_disres.o pre_dummy.o pre_equiv.o pre_excl.o pre_ffield.o pre_fix.o pre_frgsiz.o pre_frgrd.o pre_gensgm.o pre_his.o pre_hnames.o pre_hybrid.o pre_imp.o pre_input.o pre_links.o pre_master.o pre_merge.o pre_misfit.o pre_mkfrg.o pre_mklist.o pre_mknoe.o pre_mkrst.o pre_mkseq.o pre_mksgm.o pre_mktop.o pre_modify.o pre_multip.o pre_namiup.o pre_natyps.o pre_nonbon.o pre_nucleic.o pre_orient.o pre_params.o pre_parcnv.o pre_paths.o pre_paths2.o pre_pdbseq.o pre_pdbsiz.o pre_protein.o pre_rdgeom.o pre_rdpdb.o pre_rstmod.o pre_rdrst.o pre_rdseq.o pre_rdsgm.o pre_removw.o pre_rename.o pre_repeat.o pre_rot.o pre_rotate.o pre_rstsiz.o pre_rtdbin.o pre_rtdbsq.o pre_select.o pre_seqsiz.o pre_sgmfil.o pre_sgmndx.o pre_sgmnum.o pre_sgmsiz.o pre_short.o pre_slvnum.o pre_slvrd.o pre_slvsiz.o pre_solvat.o pre_task.o pre_term.o pre_third.o pre_toprd.o pre_topsiz.o pre_torang.o pre_transl.o pre_wrtnam.o pre_wrtnoe.o pre_wrtpdb.o pre_wrtpmf.o pre_wrtpov.o pre_wrtrst.o pre_wrtseq.o pre_wrtsgm.o pre_wrttop.o pre_wrtxyz.o pre_impctr.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libprepar.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libprepar.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libprepar.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/prepar' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/prepar' Making realclean in esp make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/esp' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libesp.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/esp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libesp.a ] ; then \ echo esp.o esp_dalloc.o esp_denmat.o esp_elemom.o esp_esp.o esp_fastesp.o esp_getden.o esp_fit.o esp_getg.o esp_getx.o esp_grdcnt.o esp_grid.o esp_input.o esp_malloc.o esp_matinv.o esp_out.o esp_plt.o esp_rms.o esp_rtdbin.o esp_wrtinp.o esp_jacobi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libesp.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libesp.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libesp.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/esp' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/esp' Making realclean in hessian make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/hessian' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in analytic make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/hessian/analytic' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/hessian/analytic/dft' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../../nwdft/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libhessian.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/hessian/analytic/dft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libhessian.a ] ; then \ echo xc_d2expl.o xc_cpks_coeff.o xc_exit_index.o xc_init_index.o xc_nucder_gen.o dft_3dacc.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libhessian.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libhessian.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/hessian/analytic/dft' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/hessian/analytic/dft' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libhessian.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/hessian/analytic' Making clean in dft make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/hessian/analytic/dft' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../../nwdft/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libhessian.a ] ; then \ echo xc_d2expl.o xc_cpks_coeff.o xc_exit_index.o xc_init_index.o xc_nucder_gen.o dft_3dacc.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libhessian.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libhessian.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/hessian/analytic/dft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libhessian.a ] ; then \ echo hess_anal.o hess_init.o hess_energyinit.o hess_check.o nucdd_cont.o nucdd_calc.o oned_calc.o onedd_cont.o get_wdens.o onedd_calc.o hess_dipder.o twodd_cont.o twodd_coul_ex.o shell_fock_build.o shell_fock_build_cam.o hess_cphf.o hess_pxfy.o hess_sxsy.o sx_dra.o hess_wrt.o hess_restart.o hess_hssout.o hess_print.o hess_tidy.o uhf_fock_setup.o uhf_fock_finish.o print_dens_bit.o shell_fock_build_ext.o hess_utils.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libhessian.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libhessian.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/hessian/analytic' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/hessian/analytic' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libhessian.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/hessian' Making clean in analytic make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/hessian/analytic' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in dft make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/hessian/analytic/dft' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../../nwdft/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libhessian.a ] ; then \ echo xc_d2expl.o xc_cpks_coeff.o xc_exit_index.o xc_init_index.o xc_nucder_gen.o dft_3dacc.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libhessian.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libhessian.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/hessian/analytic/dft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libhessian.a ] ; then \ echo hess_anal.o hess_init.o hess_energyinit.o hess_check.o nucdd_cont.o nucdd_calc.o oned_calc.o onedd_cont.o get_wdens.o onedd_calc.o hess_dipder.o twodd_cont.o twodd_coul_ex.o shell_fock_build.o shell_fock_build_cam.o hess_cphf.o hess_pxfy.o hess_sxsy.o sx_dra.o hess_wrt.o hess_restart.o hess_hssout.o hess_print.o hess_tidy.o uhf_fock_setup.o uhf_fock_finish.o print_dens_bit.o shell_fock_build_ext.o hess_utils.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libhessian.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libhessian.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/hessian/analytic' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libhessian.a ] ; then \ echo hess_blas.o hess_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libhessian.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libhessian.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/hessian' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/hessian' Making realclean in selci make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/selci' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libselci.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/selci' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt conf htoa if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libselci.a ] ; then \ echo iprtri.o prtri.o selci_icopy.o selci_yacobi.o tred1.o tqlrat.o loadw.o rdhint.o rdhcon.o rdhwmt.o rdconf.o upkcon.o prtcon.o wrtcon.o iodiff.o bserch.o readh.o selci_renorm.o selci_sread.o selci_swrite.o pkcon.o wthcon.o wtconf.o vadd.o idmin.o isum.o rd1.o fcidim.o axb.o axbt.o gettim.o cputm.o minit.o mxmb.o selci_check.o davids.o sigma.o conf.o ci.o initci.o rdhead.o load.o loada.o mkinta.o pconls.o makeh.o mkindb.o eij.o eijeji.o makehd.o makef.o loadg.o getij.o makehs.o eirerj.o loadab.o couple.o gtijkl.o eijkj.o makhdb.o eijil.o mknsneed.o eijkl.o putinb.o inicij.o ointer.o oeq.o selci_select.o selci.o ptidy.o anal.o mkindx.o slect.o tester.o mkdele.o mkvc.o e0mp2.o mpdele.o stool.o restk.o restin.o orbanal.o selci_hpp.o mxma.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libselci.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libselci.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libselci.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/selci' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/selci' Making realclean in dplot make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/dplot' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdplot.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/dplot' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdplot.a ] ; then \ echo dplot.o get_grid.o create_contour.o dmat.o errmem.o get_dens.o dplot_input.o get_charges.o dplot_defgrid.o dplot_dump.o dplot_dos.o ao_rdm_read.o get_transden.o get_diffden.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdplot.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdplot.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdplot.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/dplot' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/dplot' Making realclean in mp2_grad make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/mp2_grad' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libmp2.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/mp2_grad' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libmp2.a ] ; then \ echo mp2_grad.o mp2_energy.o mp2_grad_doit.o mp2_make_cphf_rhs.o mp2_make_tot_dens.o mp2_make_tot_wdens.o mp2_make_dip_mom.o mp2_pstat.o mp2_input.o mp2_make_piy.o mp2_make_nos.o mp2_back_transform.o mp2_read_tiajb.o mp2_pijab_uhf.o mp2_wijab_uhf.o mp2_lai_uhf.o mp2_lai_fock_uhf.o mp2_memory.o mp2_make_tuhf.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libmp2.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libmp2.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libmp2.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/mp2_grad' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/mp2_grad' Making realclean in qhop make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/qhop' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libqhop.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/qhop' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libqhop.a ] ; then \ echo qhop_setup.o qhop_asite.o qhop_dsite.o qhop_prob.o qhop_init.o qhop_pindex.o qhop_final.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libqhop.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libqhop.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libqhop.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/qhop' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/qhop' Making realclean in property make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/property' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libproperty.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/property' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libproperty.a ] ; then \ echo hnd_efgmap.o hnd_efgmap_z4.o hnd_elfmap.o hnd_elpmap.o hnd_eldmap.o hnd_elpiso.o hnd_spind.o hnd_elfcon.o hnd_elfcon_symm.o hnd_mtpcon.o hnd_mtpole.o prop_input.o prop.o prp.o hnd_mulken.o wnbofile.o wefgfile.o whypfile.o wgshiftfile.o wshldfile.o hnd_prp_get_dens.o hnd_prp_vec_read.o hnd_prop_dens_make.o hnd_property.o giaofock.o hnd_giaox.o hnd_hyperfine_zora.o hnd_gshift_zora.o hnd_giaox_zora.o int_giao_1ega.o giao_aotomo.o hnd_diag.o hnd_spinspin.o hnd_sdfc.o hnd_psoten.o hnd_dsoten.o prop_atom.o aoresponse_driver.o aoresponse_driver_new.o int_mpole_1ega.o aoresponse.o aoresponse_beta.o aor_write_roadata.o aoresponse_beta2.o fiao_f1_movecs.o aor_r1_tensor.o aor_r1_tensor_giao.o aor_r1_beta.o aor_r1_beta_anl.o giao_b1_movecs.o fiao_b1_movecs.o get_vecB1.o get_vecF1.o aor_get_fiaoints.o aor_get_giaoints.o aoresponse_giao_rhs.o get_alfaorbeta_reim.o CalcPerturbedTDPmat1.o CalcPerturbedTDPmat1_opt.o localization_driver.o ibo_localization.o hnd_vec_write.o giao_b1_movecs_tools.o aor_r1_beta_anl_tools.o task_raman.o raman_input.o raman.o waimfile.o hnd_eldmap_grid.o prop_moldenfile.o prop_grid.o prop_polfromsos.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libproperty.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libproperty.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libproperty.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/property' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/property' Making realclean in solvation make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/solvation' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libsolvation.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/solvation' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libsolvation.a ] ; then \ echo mnsol_mem.o mnsol_interface.o mnsol.o solv_data.o cosmo_smd_output.o cosmo_vem_output.o cosmo_lebedev.o cosmo_fibonacci.o cosmo_input.o cosmo_initialize.o cosmo_tidy.o cosmo_def_radii.o cosmo_charges.o grad_hnd_cos.o hnd_cosmo_lib.o hnd_coschg.o cosmo_thomson.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libsolvation.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libsolvation.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libsolvation.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/solvation' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/solvation' Making realclean in nwpw make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies USE_OPENMP undefined USE_OPENMP undefined Making realclean in nwpwlib make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in Parallel make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/Parallel' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/Parallel' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo Parallel.o Parallel-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/Parallel' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/Parallel' Making realclean in D1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/D1dB' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/D1dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo D1dB.o Dne.o Dnex.o skew.o Dne_omp.o D1dB-mpi.o D1dBs-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/D1dB' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/D1dB' Making realclean in D3dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/D3dB' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/D3dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo D3dB-new.o D3dBs-new.o generate_map_indexes.o hilbert.o hcurve.o olist.o trans.o D3dB_pfft.o D3dBs_pfft.o D3dB-mpi.o D3dBs-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/D3dB' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/D3dB' Making realclean in Pneb make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/Pneb' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/Pneb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo Pneb.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/Pneb' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/Pneb' Making realclean in K1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/K1dB' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/K1dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo K1dB.o K1dB-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/K1dB' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/K1dB' Making realclean in C1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/C1dB' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/C1dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo C1dB.o C1dB-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/C1dB' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/C1dB' Making realclean in C3dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/C3dB' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/C3dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo C3dB-new.o c_trans.o C3dB_pfft.o C3dB-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/C3dB' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/C3dB' Making realclean in DMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/DMatrix' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/DMatrix' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo DMatrix.o DMatrix-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/DMatrix' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/DMatrix' Making realclean in CMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/CMatrix' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/CMatrix' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo CMatrix.o CMatrix-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/CMatrix' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/CMatrix' Making realclean in TMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/TMatrix' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/TMatrix' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo dgemm_omp.o dgamm_omp.o daxpy_omp.o saxpy_omp.o dscal_omp.o zscal_omp.o ffm_multiply_omp_group.o zgemm_omp.o sgemm_omp.o ffw_multiply_omp_group.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/TMatrix' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/TMatrix' Making realclean in control make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/control' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/control' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo control.o psi_get_ne.o psi_get_version.o psi_get_header.o cpsi_get_header.o rho_check_header.o get_psp_type.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/control' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/control' Making realclean in lattice make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/lattice' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/lattice' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo lattice.o mask_init.o pack.o cloak.o cram.o balance.o c_balance.o G_init.o c_G_init.o strfac.o cstrfac.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/lattice' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/lattice' Making realclean in io make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/io' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/io' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo compressed_io.o nwpw_message.o second.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/io' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/io' Making realclean in ion make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/ion' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in shake make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/ion/shake' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/ion/shake' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo shake_chain.o shake_chain2.o shake_chain3.o shake_bonddiff.o shake_analysis.o molecular.o pspw_molecule.o pspw_atom.o pspw_bond.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/ion/shake' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/ion/shake' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/ion' Making clean in shake make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/ion/shake' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo shake_chain.o shake_chain2.o shake_chain3.o shake_bonddiff.o shake_analysis.o molecular.o pspw_molecule.o pspw_atom.o pspw_bond.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/ion/shake' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo center.o ion_FixIon.o incell1.o incell2.o incell3.o unfold.o xyz.o ion.o katm_list.o fcoord.o seperate_molpsp.o seperate_pointcharge.o ion_scaling_atoms.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/ion' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/ion' Making realclean in pseudopotential make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/pseudopotential' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in paw_atom make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/pseudopotential/paw_atom' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/pseudopotential/paw_atom' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo paw_atom_driver.o paw_atom.o paw_basis.o paw_scattering.o paw_schrodin.o paw_pauli.o paw_orbitals.o paw_kinetic_energy.o paw_potential.o paw_dirac_exchange.o paw_vosko.o paw_hartree.o paw_core.o paw_comp_charge.o paw_ion.o paw_matrix_elements.o paw_pred_cor.o paw_loggrid.o paw_bisect.o paw_error_function.o paw_get_inverse.o paw_my_constants.o paw_utilities.o paw_output.o paw_sdir.o paw_my_memory.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/pseudopotential/paw_atom' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/pseudopotential/paw_atom' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/pseudopotential' Making clean in paw_atom make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/pseudopotential/paw_atom' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo paw_atom_driver.o paw_atom.o paw_basis.o paw_scattering.o paw_schrodin.o paw_pauli.o paw_orbitals.o paw_kinetic_energy.o paw_potential.o paw_dirac_exchange.o paw_vosko.o paw_hartree.o paw_core.o paw_comp_charge.o paw_ion.o paw_matrix_elements.o paw_pred_cor.o paw_loggrid.o paw_bisect.o paw_error_function.o paw_get_inverse.o paw_my_constants.o paw_utilities.o paw_output.o paw_sdir.o paw_my_memory.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/pseudopotential/paw_atom' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo psp_generator_input.o pspsolve.o hgh_parse.o cpi_parse.o teter_parse.o carter_parse.o qmmm_parse.o get_word.o name.o loggrid.o pred_cor.o spline.o grids.o atom.o schrodin.o pauli.o dirac.o zora.o dft.o hartree.o dirac_exchange.o perdew_wang.o perdew_zunger.o vosko.o pbe_exchange.o pbe_correlation.o revpbe_exchange.o revpbe_correlation.o becke_exchange.o lyp_correlation.o hamann.o troullier.o xpansion.o gaussj.o vanderbilt.o xpansion2.o psp1d.o generate_rho_semicore.o debug.o rhamann.o rtroullier.o rpsp.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/pseudopotential' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/pseudopotential' Making realclean in utilities make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/utilities' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in paw_utilities make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/utilities/paw_utilities' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/utilities/paw_utilities' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_gaunt.o nwpw_compcharge.o nwpw_gintegrals3.o nwpw_xc.o nwpw_vosko.o nwpw_gga.o nwpw_SpecialKummer.o nwpw_GaussBessel.o nwpw_WGaussian.o nwpw_gauss_weights.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/utilities/paw_utilities' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/utilities/paw_utilities' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/utilities' Making clean in paw_utilities make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/utilities/paw_utilities' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_gaunt.o nwpw_compcharge.o nwpw_gintegrals3.o nwpw_xc.o nwpw_vosko.o nwpw_gga.o nwpw_SpecialKummer.o nwpw_GaussBessel.o nwpw_WGaussian.o nwpw_gauss_weights.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/utilities/paw_utilities' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_filefind.o nwpw_scratch.o nwpw_list.o nwpw_scf_mixing.o nwpw_spline.o nwpw_interp.o kerker_G.o cpmd_properties.o nwpw_rdf.o pair_dist.o pair_dist2.o pair_distab.o auto_corr.o generate_unfolded_xyz.o matrix.o simp.o is_sORd.o psi_filefind.o v_psi_filefind.o getfilling.o CIF_write.o densityofstates.o MOTION_nframes.o spdf_name.o cell.o cellgeometry.o cpsi_data.o psi_data.o butter.o print_elapsed_time.o log_integrate.o nwpw_parse.o nwpw_matrix_invert.o analysis_expansion_coef.o nwpw_double_factorial.o nwpw_kbpp_ray.o nwpw_talker.o nwpw_expression.o nwpw_emachine.o BA_memory.o btdb.o beom.o task_paulsmatrix.o nwpw_cosmo.o nwpw_born.o nwpw_cdft.o nwpw_fftpack3d.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/utilities' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/utilities' Making realclean in unitcell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/unitcell' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/unitcell' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo simulation_cell_input.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/unitcell' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/unitcell' Making realclean in brillouin_zone make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/brillouin_zone' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/brillouin_zone' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo brillouin_zone_input.o brillioun.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/brillouin_zone' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/brillouin_zone' Making realclean in fractional make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/fractional' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/fractional' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo fractional.o frac_occ_input.o frac_occ.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/fractional' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/fractional' Making realclean in linesearch make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/linesearch' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/linesearch' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo linesearch.o Order_Values.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/linesearch' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/linesearch' Making realclean in timing make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/timing' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/timing' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_timing.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/timing' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/timing' Making realclean in ewald make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/ewald' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/ewald' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo ewald.o ewald_strfac.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/ewald' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/ewald' Making realclean in thermostats make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/thermostats' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/thermostats' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo nose-hoover.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/thermostats' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/thermostats' Making realclean in MetaDynamics make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/MetaDynamics' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/MetaDynamics' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo metadynamics_input.o metadynamics_aux.o metadynamics.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/MetaDynamics' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/MetaDynamics' Making realclean in TAMD make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/TAMD' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/TAMD' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo tamd_input.o tamd.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/TAMD' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/TAMD' Making realclean in FMM make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/FMM' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/FMM' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo fmm.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/FMM' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/FMM' Making realclean in md_xs make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/md_xs' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in FEFF6L make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/md_xs/FEFF6L' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/md_xs/FEFF6L' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo feff6Lib.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/md_xs/FEFF6L' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/md_xs/FEFF6L' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/md_xs' Making clean in FEFF6L make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/md_xs/FEFF6L' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo feff6Lib.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/md_xs/FEFF6L' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo md_xs_input.o md_xs.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/md_xs' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/md_xs' Making realclean in nwpwxc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/nwpwxc' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/nwpwxc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpwxc_block.o nwpwxc_add.o nwpwxc_query.o nwpwxc_nwchem.o nwpwxc_vdw3d.o nwpwxc_eval.o nwpwxc_x_att.o nwpwxc_x_b88.o nwpwxc_x_bnl.o nwpwxc_x_camb88.o nwpwxc_x_camlsd.o nwpwxc_x_campbe.o nwpwxc_x_cams12.o nwpwxc_x_dirac.o nwpwxc_x_gill.o nwpwxc_x_hse08.o nwpwxc_x_ft97.o nwpwxc_x_m05.o nwpwxc_x_m06.o nwpwxc_x_m11.o nwpwxc_x_opt.o nwpwxc_x_pbe.o nwpwxc_x_rpbe.o nwpwxc_x_pkzb99.o nwpwxc_x_s12.o nwpwxc_x_sogga.o nwpwxc_x_tpss03.o nwpwxc_x_wpbe.o nwpwxc_x_vs98.o nwpwxc_c_b95.o nwpwxc_c_ft97.o nwpwxc_c_lyp.o nwpwxc_c_m05.o nwpwxc_c_m06.o nwpwxc_c_m11.o nwpwxc_c_opt.o nwpwxc_c_p91.o nwpwxc_c_p91_vwn5.o nwpwxc_c_pw91lda.o nwpwxc_c_sogga.o nwpwxc_c_pbe.o nwpwxc_c_Mpbe.o nwpwxc_c_pkzb99.o nwpwxc_c_tpss03.o nwpwxc_c_vs98.o nwpwxc_c_lsda.o nwpwxc_c_vwn1.o nwpwxc_c_vwn1_rpa.o nwpwxc_c_vwn2.o nwpwxc_c_vwn3.o nwpwxc_c_vwn4.o nwpwxc_c_vwn5.o nwpwxc_c_op.o nwpwxc_cs00.o nwpwxc_vdw3b.o nwpwxc_vdw3c.o nwpwxcP_xc_b97.o nwpwxc_x_b97.o nwpwxc_c_b97.o nwpwxc_xc_kt1.o nwpwxc_c_spbe.o nwpwxc_x_ssbD_1.o nwpwxc_c_perdew81.o nwpwxc_c_perdew86.o nwpwxc_x_pw91.o nwpwxc_x_pw6.o nwpwxc_x_b86b.o nwpwxc_x_scan.o nwpwxc_c_scan.o nwpwxc_vdw3a.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/nwpwxc' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/nwpwxc' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ rm: cannot remove '/build/reproducible-path/nwchem-7.2.2/lib/LINUX64/': Is a directory make[4]: [../../config/makelib.h:350: realclean] Error 1 (ignored) make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib' Making clean in Parallel make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/Parallel' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo Parallel.o Parallel-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/Parallel' Making clean in D1dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/D1dB' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo D1dB.o Dne.o Dnex.o skew.o Dne_omp.o D1dB-mpi.o D1dBs-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/D1dB' Making clean in D3dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/D3dB' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo D3dB-new.o D3dBs-new.o generate_map_indexes.o hilbert.o hcurve.o olist.o trans.o D3dB_pfft.o D3dBs_pfft.o D3dB-mpi.o D3dBs-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/D3dB' Making clean in Pneb make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/Pneb' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo Pneb.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/Pneb' Making clean in K1dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/K1dB' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo K1dB.o K1dB-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/K1dB' Making clean in C1dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/C1dB' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo C1dB.o C1dB-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/C1dB' Making clean in C3dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/C3dB' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo C3dB-new.o c_trans.o C3dB_pfft.o C3dB-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/C3dB' Making clean in DMatrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/DMatrix' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo DMatrix.o DMatrix-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/DMatrix' Making clean in CMatrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/CMatrix' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo CMatrix.o CMatrix-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/CMatrix' Making clean in TMatrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/TMatrix' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo dgemm_omp.o dgamm_omp.o daxpy_omp.o saxpy_omp.o dscal_omp.o zscal_omp.o ffm_multiply_omp_group.o zgemm_omp.o sgemm_omp.o ffw_multiply_omp_group.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/TMatrix' Making clean in control make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/control' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo control.o psi_get_ne.o psi_get_version.o psi_get_header.o cpsi_get_header.o rho_check_header.o get_psp_type.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/control' Making clean in lattice make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/lattice' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo lattice.o mask_init.o pack.o cloak.o cram.o balance.o c_balance.o G_init.o c_G_init.o strfac.o cstrfac.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/lattice' Making clean in io make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/io' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo compressed_io.o nwpw_message.o second.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/io' Making clean in ion make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/ion' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in shake make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/ion/shake' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo shake_chain.o shake_chain2.o shake_chain3.o shake_bonddiff.o shake_analysis.o molecular.o pspw_molecule.o pspw_atom.o pspw_bond.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/ion/shake' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo center.o ion_FixIon.o incell1.o incell2.o incell3.o unfold.o xyz.o ion.o katm_list.o fcoord.o seperate_molpsp.o seperate_pointcharge.o ion_scaling_atoms.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/ion' Making clean in pseudopotential make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/pseudopotential' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in paw_atom make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/pseudopotential/paw_atom' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo paw_atom_driver.o paw_atom.o paw_basis.o paw_scattering.o paw_schrodin.o paw_pauli.o paw_orbitals.o paw_kinetic_energy.o paw_potential.o paw_dirac_exchange.o paw_vosko.o paw_hartree.o paw_core.o paw_comp_charge.o paw_ion.o paw_matrix_elements.o paw_pred_cor.o paw_loggrid.o paw_bisect.o paw_error_function.o paw_get_inverse.o paw_my_constants.o paw_utilities.o paw_output.o paw_sdir.o paw_my_memory.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/pseudopotential/paw_atom' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo psp_generator_input.o pspsolve.o hgh_parse.o cpi_parse.o teter_parse.o carter_parse.o qmmm_parse.o get_word.o name.o loggrid.o pred_cor.o spline.o grids.o atom.o schrodin.o pauli.o dirac.o zora.o dft.o hartree.o dirac_exchange.o perdew_wang.o perdew_zunger.o vosko.o pbe_exchange.o pbe_correlation.o revpbe_exchange.o revpbe_correlation.o becke_exchange.o lyp_correlation.o hamann.o troullier.o xpansion.o gaussj.o vanderbilt.o xpansion2.o psp1d.o generate_rho_semicore.o debug.o rhamann.o rtroullier.o rpsp.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/pseudopotential' Making clean in utilities make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/utilities' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in paw_utilities make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/utilities/paw_utilities' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_gaunt.o nwpw_compcharge.o nwpw_gintegrals3.o nwpw_xc.o nwpw_vosko.o nwpw_gga.o nwpw_SpecialKummer.o nwpw_GaussBessel.o nwpw_WGaussian.o nwpw_gauss_weights.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/utilities/paw_utilities' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_filefind.o nwpw_scratch.o nwpw_list.o nwpw_scf_mixing.o nwpw_spline.o nwpw_interp.o kerker_G.o cpmd_properties.o nwpw_rdf.o pair_dist.o pair_dist2.o pair_distab.o auto_corr.o generate_unfolded_xyz.o matrix.o simp.o is_sORd.o psi_filefind.o v_psi_filefind.o getfilling.o CIF_write.o densityofstates.o MOTION_nframes.o spdf_name.o cell.o cellgeometry.o cpsi_data.o psi_data.o butter.o print_elapsed_time.o log_integrate.o nwpw_parse.o nwpw_matrix_invert.o analysis_expansion_coef.o nwpw_double_factorial.o nwpw_kbpp_ray.o nwpw_talker.o nwpw_expression.o nwpw_emachine.o BA_memory.o btdb.o beom.o task_paulsmatrix.o nwpw_cosmo.o nwpw_born.o nwpw_cdft.o nwpw_fftpack3d.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/utilities' Making clean in unitcell make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/unitcell' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo simulation_cell_input.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/unitcell' Making clean in brillouin_zone make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/brillouin_zone' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo brillouin_zone_input.o brillioun.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/brillouin_zone' Making clean in fractional make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/fractional' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo fractional.o frac_occ_input.o frac_occ.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/fractional' Making clean in linesearch make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/linesearch' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo linesearch.o Order_Values.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/linesearch' Making clean in timing make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/timing' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_timing.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/timing' Making clean in ewald make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/ewald' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo ewald.o ewald_strfac.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/ewald' Making clean in thermostats make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/thermostats' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo nose-hoover.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/thermostats' Making clean in MetaDynamics make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/MetaDynamics' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo metadynamics_input.o metadynamics_aux.o metadynamics.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/MetaDynamics' Making clean in TAMD make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/TAMD' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo tamd_input.o tamd.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/TAMD' Making clean in FMM make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/FMM' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo fmm.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/FMM' Making clean in md_xs make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/md_xs' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in FEFF6L make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/md_xs/FEFF6L' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo feff6Lib.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/md_xs/FEFF6L' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo md_xs_input.o md_xs.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/md_xs' Making clean in nwpwxc make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/nwpwxc' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpwxc_block.o nwpwxc_add.o nwpwxc_query.o nwpwxc_nwchem.o nwpwxc_vdw3d.o nwpwxc_eval.o nwpwxc_x_att.o nwpwxc_x_b88.o nwpwxc_x_bnl.o nwpwxc_x_camb88.o nwpwxc_x_camlsd.o nwpwxc_x_campbe.o nwpwxc_x_cams12.o nwpwxc_x_dirac.o nwpwxc_x_gill.o nwpwxc_x_hse08.o nwpwxc_x_ft97.o nwpwxc_x_m05.o nwpwxc_x_m06.o nwpwxc_x_m11.o nwpwxc_x_opt.o nwpwxc_x_pbe.o nwpwxc_x_rpbe.o nwpwxc_x_pkzb99.o nwpwxc_x_s12.o nwpwxc_x_sogga.o nwpwxc_x_tpss03.o nwpwxc_x_wpbe.o nwpwxc_x_vs98.o nwpwxc_c_b95.o nwpwxc_c_ft97.o nwpwxc_c_lyp.o nwpwxc_c_m05.o nwpwxc_c_m06.o nwpwxc_c_m11.o nwpwxc_c_opt.o nwpwxc_c_p91.o nwpwxc_c_p91_vwn5.o nwpwxc_c_pw91lda.o nwpwxc_c_sogga.o nwpwxc_c_pbe.o nwpwxc_c_Mpbe.o nwpwxc_c_pkzb99.o nwpwxc_c_tpss03.o nwpwxc_c_vs98.o nwpwxc_c_lsda.o nwpwxc_c_vwn1.o nwpwxc_c_vwn1_rpa.o nwpwxc_c_vwn2.o nwpwxc_c_vwn3.o nwpwxc_c_vwn4.o nwpwxc_c_vwn5.o nwpwxc_c_op.o nwpwxc_cs00.o nwpwxc_vdw3b.o nwpwxc_vdw3c.o nwpwxcP_xc_b97.o nwpwxc_x_b97.o nwpwxc_c_b97.o nwpwxc_xc_kt1.o nwpwxc_c_spbe.o nwpwxc_x_ssbD_1.o nwpwxc_c_perdew81.o nwpwxc_c_perdew86.o nwpwxc_x_pw91.o nwpwxc_x_pw6.o nwpwxc_x_b86b.o nwpwxc_x_scan.o nwpwxc_c_scan.o nwpwxc_vdw3a.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/nwpwxc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib' Making realclean in libraryps make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/libraryps' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/libraryps' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_library.o nwpw_libfile.o nwpw_set_library.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/libraryps' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/libraryps' Making realclean in pspw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in psi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/psi' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/psi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo dipole.o dipole_efield.o orthocheck.o psi.o psi_spin2.o geodesic.o geodesic2.o Grassman.o psi_dmatrix.o psi_read.o psi_write.o rho_write.o rho_read.o v_psi_read.o v_psi_write.o psi_new.o v_psi_new.o psi_history.o psi_write_filename.o psi_read_filename.o polarizability.o berry_phase_pol.o rho_symmetrizer.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/psi' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/psi' Making realclean in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/electron' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/electron' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo psi_H.o psi_Hv4.o electron.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/electron' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/electron' Making realclean in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/ke' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/ke' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo ke.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/ke' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/ke' Making realclean in coulomb make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/coulomb' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/coulomb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo coulomb.o coulomb2.o coulomb_screened.o coulomb_screened_small.o coulomb_filter.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/coulomb' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/coulomb' Making realclean in exchange-correlation make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/exchange-correlation' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in vdw-DF make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a make clean make[8]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo vdw-DF.o vdw_DF_kernel.o vdw_DF_get_qmesh_filename.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[8]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' rm -f dependencies make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/exchange-correlation' Making clean in vdw-DF make[8]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo vdw-DF.o vdw_DF_kernel.o vdw_DF_get_qmesh_filename.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[8]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo v_bwexc_all.o v_exc.o v_dirac.o v_mexc.o v_bwexc.o v_bwexc_euv.o nwpw_meta_gga.o pbe96.o pbesol.o revpbe.o blyp.o b3lyp.o bnl2007_x.o hsepbe.o beef_gga.o pw92c.o vs98.o tpss03.o scan.o r2scan.o pw91c.o pbe96x.o pbe96c.o m06.o m06-l.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/exchange-correlation' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/exchange-correlation' Making realclean in sic make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/sic' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/sic' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_sic.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/sic' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/sic' Making realclean in hfx make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/hfx' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/hfx' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_hfx.o pspw_shfx.o pspw_hfx_localized.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/hfx' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/hfx' Making realclean in ion make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/ion' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/ion' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo ion_ion.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/ion' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/ion' Making realclean in psp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/psp' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/psp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo MOTION.o psp.o psp_olddebug.o psp_cmp_dE_Qlm.o paw.o psp_stress.o semicore.o semicore_force.o psp_U.o psp_ld.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/psp' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/psp' Making realclean in Grsm_list make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/Grsm_list' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/Grsm_list' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/Grsm_list' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/Grsm_list' Making realclean in aorbs make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/aorbs' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/aorbs' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo aorbs.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/aorbs' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/aorbs' Making realclean in truncating_function make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/truncating_function' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/truncating_function' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo truncating_function.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/truncating_function' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/truncating_function' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ rm: cannot remove '/build/reproducible-path/nwchem-7.2.2/lib/LINUX64/': Is a directory make[5]: [../../../config/makelib.h:350: realclean] Error 1 (ignored) make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib' Making clean in psi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/psi' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo dipole.o dipole_efield.o orthocheck.o psi.o psi_spin2.o geodesic.o geodesic2.o Grassman.o psi_dmatrix.o psi_read.o psi_write.o rho_write.o rho_read.o v_psi_read.o v_psi_write.o psi_new.o v_psi_new.o psi_history.o psi_write_filename.o psi_read_filename.o polarizability.o berry_phase_pol.o rho_symmetrizer.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/psi' Making clean in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/electron' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo psi_H.o psi_Hv4.o electron.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/electron' Making clean in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/ke' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo ke.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/ke' Making clean in coulomb make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/coulomb' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo coulomb.o coulomb2.o coulomb_screened.o coulomb_screened_small.o coulomb_filter.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/coulomb' Making clean in exchange-correlation make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/exchange-correlation' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in vdw-DF make[8]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo vdw-DF.o vdw_DF_kernel.o vdw_DF_get_qmesh_filename.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[8]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo v_bwexc_all.o v_exc.o v_dirac.o v_mexc.o v_bwexc.o v_bwexc_euv.o nwpw_meta_gga.o pbe96.o pbesol.o revpbe.o blyp.o b3lyp.o bnl2007_x.o hsepbe.o beef_gga.o pw92c.o vs98.o tpss03.o scan.o r2scan.o pw91c.o pbe96x.o pbe96c.o m06.o m06-l.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/exchange-correlation' Making clean in sic make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/sic' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_sic.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/sic' Making clean in hfx make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/hfx' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_hfx.o pspw_shfx.o pspw_hfx_localized.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/hfx' Making clean in ion make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/ion' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo ion_ion.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/ion' Making clean in psp make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/psp' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo MOTION.o psp.o psp_olddebug.o psp_cmp_dE_Qlm.o paw.o psp_stress.o semicore.o semicore_force.o psp_U.o psp_ld.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/psp' Making clean in Grsm_list make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/Grsm_list' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/Grsm_list' Making clean in aorbs make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/aorbs' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo aorbs.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/aorbs' Making clean in truncating_function make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/truncating_function' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo truncating_function.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/truncating_function' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib' Making realclean in kbpp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/kbpp' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/kbpp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo psp_formatter_input.o psp_formatter.o psp_stress_formatter.o pawppv1.o hghppv1.o HGH_local.o HGH_nonlocal.o Tesseral.o kbppv3.o kbppv3-stress.o setup_kbpp.o kbpp_ray.o integrate_kbppv3.o integrate_kbppv3_new.o integrate_kbppv3_ray.o integrate_stress.o integrate_stress_new.o integrate_stress_ray.o aorbs_formatter.o kbpp_orb.o integrate_kbpp_orb.o integrate_pawppv1.o integrate_paw_ray.o kbppv3d.o kbppv3d_stress.o integrate_kbppv3d.o integrate_d_stress.o integrate_kbppv3d_new.o integrate_d_stress_new.o kbppv3e.o kbppv3e_stress.o integrate_kbppv3e.o integrate_kbppv3e_new.o integrate_kbppv3e_ray.o integrate_e_stress.o integrate_e_stress_new.o integrate_e_stress_ray.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/kbpp' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/kbpp' Making realclean in makepsi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/makepsi' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/makepsi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo wvfnc_init_input.o wvfnc_init.o wvfnc_new.o wvfnc_expander_input.o wvfnc_expander.o wvfnc_reformat.o wvfnc_ionize.o wvfnc_adjust.o wvfnc_convert_restricted.o v_wvfnc_init_input.o v_wvfnc_init.o v_wvfnc_new.o pspw_wannier_input.o pspw_wannier.o silvestrelli_overlap.o silvestrelli_minimize.o pspw_wannier_old.o silvestrelli_overlap_old.o silvestrelli_minimize_old.o pspw_wannier2.o pspw_translate.o expand_cell.o wvfnc_expand_cell.o band_reformat_c_wvfnc.o makenodefunctions.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/makepsi' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/makepsi' Making realclean in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/cpsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/cpsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo cpsd_input.o cpmd_input.o cpsdv5.o cpmdv5.o mmsdv1.o inner_loop_md.o mm_loop.o psi_lmbda.o psi_lmbda_sic.o psi_lmbda_paw.o psi_lmbda2.o psi_lmbda3.o psi_lmbda_omp.o fei_output.o dipole_motion.o pspw_et.o runsocket.o psi_lmbda_omp.o inner_loop.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/cpsd' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/cpsd' Making realclean in cgsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/cgsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/cgsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo cgsd_input.o pspw_noit_energy.o pspw_energy.o pspw_gradient.o pspw_bq_gradient.o pspw_stress.o cgsdv5.o cgmontecarlov1.o cgoptimize1.o cgmdv5.o mmmdv1.o cgsd_noit_energy.o cgsd_energy.o cgsd_excited.o cgsd_oep_eigenvalues.o cgminimize.o cgminimize2.o cgminimizeABC.o bfgsminimize.o bfgsminimize2.o bfgsminimize3.o bfgsminimizeABC.o bybminimize0.o bybminimize.o bybminimize2.o sdminimize.o nominimize.o md_energy.o kp_structure.o pspw_director.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/cgsd' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/cgsd' Making realclean in analysis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/analysis' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in APC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/analysis/APC' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_APC.o pspw_atom_Efield.o util_diag_jacobi.o util_sorteps.o pspw_atom_Efield_grad.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/analysis/APC' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/analysis/APC' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/analysis' Making clean in APC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/analysis/APC' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_APC.o pspw_atom_Efield.o util_diag_jacobi.o util_sorteps.o pspw_atom_Efield_grad.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo analysis_input.o analysis.o orb_pop.o orb_pop_kawai.o orb_pop_aorb.o orb.o pspw_Lubin_water_analysis.o pspw_atom_analysis.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/analysis' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/analysis' Making realclean in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/cell_optimize' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/cell_optimize' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo cell_optimize_input.o cell_optimize.o update_unitcell.o pspw_stress_numerical.o pspw_force_numerical.o force_fd.o stress_fd.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/cell_optimize' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/cell_optimize' Making realclean in qmmm make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in pspw_LJ make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_LJ' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_LJ' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_LJ.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_LJ' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_LJ' Making realclean in pspw_Q make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_Q' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_Q' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Q.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_Q' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_Q' Making realclean in pspw_Pair make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_Pair' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_Pair' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Pair.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_Pair' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_Pair' Making realclean in mmq make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/mmq' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/mmq' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo mmq.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/mmq' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/mmq' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm' Making clean in pspw_LJ make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_LJ' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_LJ.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_LJ' Making clean in pspw_Q make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_Q' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Q.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_Q' Making clean in pspw_Pair make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_Pair' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Pair.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_Pair' Making clean in mmq make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/mmq' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo mmq.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/mmq' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_qmmm_input.o pspw_qmmm.o pspw_2qmmm.o pspw_springs.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm' Making realclean in charge make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/charge' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/charge' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_charge.o pspw_efield.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/charge' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/charge' Making realclean in dplot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/dplot' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/dplot' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_dplot_input.o pspw_dplot.o pspw_dplot_iteration.o ELF.o Ursenbach_smoother.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/dplot' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/dplot' Making realclean in lcao make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lcao' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lcao' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo lcao_wvfnc.o wvfnc_new_lcao_density.o lcao_write_matrix.o lcao_generate_smatrix.o lcao_generate_kematrix.o lcao_generate_vlmatrix.o lcao_generate_vnlmatrix.o lcao_generate_vhxcmatrix.o lcao_init_dn.o lcao_new_dn.o lcao_make_psi.o lcao_write_psi.o lcaov1.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lcao' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lcao' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw' Making clean in lib make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in psi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/psi' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo dipole.o dipole_efield.o orthocheck.o psi.o psi_spin2.o geodesic.o geodesic2.o Grassman.o psi_dmatrix.o psi_read.o psi_write.o rho_write.o rho_read.o v_psi_read.o v_psi_write.o psi_new.o v_psi_new.o psi_history.o psi_write_filename.o psi_read_filename.o polarizability.o berry_phase_pol.o rho_symmetrizer.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/psi' Making clean in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/electron' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo psi_H.o psi_Hv4.o electron.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/electron' Making clean in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/ke' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo ke.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/ke' Making clean in coulomb make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/coulomb' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo coulomb.o coulomb2.o coulomb_screened.o coulomb_screened_small.o coulomb_filter.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/coulomb' Making clean in exchange-correlation make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/exchange-correlation' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in vdw-DF make[8]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo vdw-DF.o vdw_DF_kernel.o vdw_DF_get_qmesh_filename.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[8]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo v_bwexc_all.o v_exc.o v_dirac.o v_mexc.o v_bwexc.o v_bwexc_euv.o nwpw_meta_gga.o pbe96.o pbesol.o revpbe.o blyp.o b3lyp.o bnl2007_x.o hsepbe.o beef_gga.o pw92c.o vs98.o tpss03.o scan.o r2scan.o pw91c.o pbe96x.o pbe96c.o m06.o m06-l.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/exchange-correlation' Making clean in sic make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/sic' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_sic.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/sic' Making clean in hfx make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/hfx' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_hfx.o pspw_shfx.o pspw_hfx_localized.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/hfx' Making clean in ion make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/ion' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo ion_ion.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/ion' Making clean in psp make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/psp' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo MOTION.o psp.o psp_olddebug.o psp_cmp_dE_Qlm.o paw.o psp_stress.o semicore.o semicore_force.o psp_U.o psp_ld.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/psp' Making clean in Grsm_list make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/Grsm_list' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/Grsm_list' Making clean in aorbs make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/aorbs' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo aorbs.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/aorbs' Making clean in truncating_function make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/truncating_function' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo truncating_function.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/truncating_function' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib' Making clean in kbpp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/kbpp' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo psp_formatter_input.o psp_formatter.o psp_stress_formatter.o pawppv1.o hghppv1.o HGH_local.o HGH_nonlocal.o Tesseral.o kbppv3.o kbppv3-stress.o setup_kbpp.o kbpp_ray.o integrate_kbppv3.o integrate_kbppv3_new.o integrate_kbppv3_ray.o integrate_stress.o integrate_stress_new.o integrate_stress_ray.o aorbs_formatter.o kbpp_orb.o integrate_kbpp_orb.o integrate_pawppv1.o integrate_paw_ray.o kbppv3d.o kbppv3d_stress.o integrate_kbppv3d.o integrate_d_stress.o integrate_kbppv3d_new.o integrate_d_stress_new.o kbppv3e.o kbppv3e_stress.o integrate_kbppv3e.o integrate_kbppv3e_new.o integrate_kbppv3e_ray.o integrate_e_stress.o integrate_e_stress_new.o integrate_e_stress_ray.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/kbpp' Making clean in makepsi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/makepsi' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo wvfnc_init_input.o wvfnc_init.o wvfnc_new.o wvfnc_expander_input.o wvfnc_expander.o wvfnc_reformat.o wvfnc_ionize.o wvfnc_adjust.o wvfnc_convert_restricted.o v_wvfnc_init_input.o v_wvfnc_init.o v_wvfnc_new.o pspw_wannier_input.o pspw_wannier.o silvestrelli_overlap.o silvestrelli_minimize.o pspw_wannier_old.o silvestrelli_overlap_old.o silvestrelli_minimize_old.o pspw_wannier2.o pspw_translate.o expand_cell.o wvfnc_expand_cell.o band_reformat_c_wvfnc.o makenodefunctions.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/makepsi' Making clean in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/cpsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo cpsd_input.o cpmd_input.o cpsdv5.o cpmdv5.o mmsdv1.o inner_loop_md.o mm_loop.o psi_lmbda.o psi_lmbda_sic.o psi_lmbda_paw.o psi_lmbda2.o psi_lmbda3.o psi_lmbda_omp.o fei_output.o dipole_motion.o pspw_et.o runsocket.o psi_lmbda_omp.o inner_loop.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/cpsd' Making clean in cgsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/cgsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo cgsd_input.o pspw_noit_energy.o pspw_energy.o pspw_gradient.o pspw_bq_gradient.o pspw_stress.o cgsdv5.o cgmontecarlov1.o cgoptimize1.o cgmdv5.o mmmdv1.o cgsd_noit_energy.o cgsd_energy.o cgsd_excited.o cgsd_oep_eigenvalues.o cgminimize.o cgminimize2.o cgminimizeABC.o bfgsminimize.o bfgsminimize2.o bfgsminimize3.o bfgsminimizeABC.o bybminimize0.o bybminimize.o bybminimize2.o sdminimize.o nominimize.o md_energy.o kp_structure.o pspw_director.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/cgsd' Making clean in analysis make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/analysis' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in APC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/analysis/APC' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_APC.o pspw_atom_Efield.o util_diag_jacobi.o util_sorteps.o pspw_atom_Efield_grad.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo analysis_input.o analysis.o orb_pop.o orb_pop_kawai.o orb_pop_aorb.o orb.o pspw_Lubin_water_analysis.o pspw_atom_analysis.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/analysis' Making clean in cell_optimize make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/cell_optimize' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo cell_optimize_input.o cell_optimize.o update_unitcell.o pspw_stress_numerical.o pspw_force_numerical.o force_fd.o stress_fd.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/cell_optimize' Making clean in qmmm make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in pspw_LJ make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_LJ' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_LJ.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_LJ' Making clean in pspw_Q make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_Q' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Q.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_Q' Making clean in pspw_Pair make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_Pair' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Pair.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_Pair' Making clean in mmq make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/mmq' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo mmq.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/mmq' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_qmmm_input.o pspw_qmmm.o pspw_2qmmm.o pspw_springs.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm' Making clean in charge make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/charge' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_charge.o pspw_efield.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/charge' Making clean in dplot make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/dplot' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_dplot_input.o pspw_dplot.o pspw_dplot_iteration.o ELF.o Ursenbach_smoother.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/dplot' Making clean in lcao make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lcao' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo lcao_wvfnc.o wvfnc_new_lcao_density.o lcao_write_matrix.o lcao_generate_smatrix.o lcao_generate_kematrix.o lcao_generate_vlmatrix.o lcao_generate_vnlmatrix.o lcao_generate_vhxcmatrix.o lcao_init_dn.o lcao_new_dn.o lcao_make_psi.o lcao_write_psi.o lcaov1.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lcao' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo task_pspw.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw' Making realclean in paw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in paw_geometry make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_geometry' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_geometry' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_geometry' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_geometry' Making realclean in paw_ma make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_ma' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_ma' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_ma.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_ma' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_ma' Making realclean in paw_utils make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_utils' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_utils' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo integrate.o paw_utils.o io_utils.o chkerr.o double_factorial.o bessel_transform.o paw_gauss_weights.o paw_spher_grid.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_utils' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_utils' Making realclean in paw_basis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_basis' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_basis' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_basis.o paw_small_basis.o paw_basis_data.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_basis' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_basis' Making realclean in paw_proj make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_proj' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_proj' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_proj.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_proj' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_proj' Making realclean in paw_matrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_matrix' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_matrix' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_comp_charge_matrix.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_matrix' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_matrix' Making realclean in paw_ovlp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_ovlp' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_ovlp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_ovlp.o paw_overlap_matrix.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_ovlp' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_ovlp' Making realclean in paw_comp_charge make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_comp_charge' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_comp_charge' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_comp_charge.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_comp_charge' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_comp_charge' Making realclean in paw_special_functions make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_special_functions' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_special_functions' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_spher_func.o paw_double_factorial.o paw_gamma_function.o paw_hypergeom1F1.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_special_functions' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_special_functions' Making realclean in paw_gaunt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_gaunt' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_gaunt' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_gaunt.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_gaunt' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_gaunt' Making realclean in paw_kinetic make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_kinetic' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_kinetic' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_kin_atom.o paw_matrix_kin.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_kinetic' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_kinetic' Making realclean in paw_vloc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_vloc' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_vloc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_vloc_atom.o paw_matrix_vloc.o paw_vloc.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_vloc' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_vloc' Making realclean in paw_ion_potential make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_ion_potential' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_ion_potential' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_ion_atom.o paw_matrix_ion.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_ion_potential' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_ion_potential' Making realclean in paw_core make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_core' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_core' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_core_atom.o paw_matrix_core.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_core' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_core' Making realclean in paw_hartree make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_hartree' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_hartree' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_matrix_hartree.o paw_pot_hartree.o paw_energy_hartree_atom.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_hartree' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_hartree' Making realclean in paw_comp_pot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_comp_pot' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_comp_pot' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_matrix_comp_pot.o paw_pot_comp.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_comp_pot' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_comp_pot' Making realclean in paw_mult make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_mult' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_mult' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_mult.o paw_mult_interaction.o paw_mult_energy.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_mult' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_mult' Making realclean in paw_nonlocal make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_nonlocal' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_nonlocal' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_nonlocal.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_nonlocal' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_nonlocal' Making realclean in paw_density make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_density' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_density' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_density.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_density' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_density' Making realclean in paw_xc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_xc' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_xc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_xc.o paw_vosko.o paw_dirac_x.o paw_gga.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_xc' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_xc' Making realclean in paw_force make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_force' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_force' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_force.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_force' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_force' Making realclean in paw_Grsm_list make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_Grsm_list' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_Grsm_list' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_Grsm_list.o paw_lmbfgs.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_Grsm_list' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_Grsm_list' Making realclean in paw_psi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_psi' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_psi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_psi.o paw_psi2.o paw_psi_new.o paw_psi_H.o paw_electron.o paw_geodesic.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_psi' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_psi' Making realclean in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/cpsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/cpsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_sd.o paw_cpmd.o paw_inner_loop.o paw_inner_loop_md.o psi_marat_write.o paw_output.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/cpsd' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/cpsd' Making realclean in cgsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/cgsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/cgsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy.o paw_noit_energy.o paw_gradient.o paw_stress.o paw_minimizer.o paw_cgsd_energy.o paw_cgminimize.o paw_bfgsminimize.o paw_nominimize.o paw_sdminimize.o paw_cgsd_noit_energy.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/cgsd' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/cgsd' Making realclean in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/cell_optimize' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/cell_optimize' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_stress_numerical.o paw_stress_fd.o paw_cell_optimize.o paw_update_unitcell.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/cell_optimize' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/cell_optimize' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw' Making clean in paw_geometry make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_geometry' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_geometry' Making clean in paw_ma make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_ma' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_ma.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_ma' Making clean in paw_utils make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_utils' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo integrate.o paw_utils.o io_utils.o chkerr.o double_factorial.o bessel_transform.o paw_gauss_weights.o paw_spher_grid.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_utils' Making clean in paw_basis make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_basis' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_basis.o paw_small_basis.o paw_basis_data.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_basis' Making clean in paw_proj make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_proj' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_proj.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_proj' Making clean in paw_matrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_matrix' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_comp_charge_matrix.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_matrix' Making clean in paw_ovlp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_ovlp' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_ovlp.o paw_overlap_matrix.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_ovlp' Making clean in paw_comp_charge make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_comp_charge' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_comp_charge.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_comp_charge' Making clean in paw_special_functions make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_special_functions' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_spher_func.o paw_double_factorial.o paw_gamma_function.o paw_hypergeom1F1.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_special_functions' Making clean in paw_gaunt make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_gaunt' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_gaunt.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_gaunt' Making clean in paw_kinetic make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_kinetic' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_kin_atom.o paw_matrix_kin.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_kinetic' Making clean in paw_vloc make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_vloc' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_vloc_atom.o paw_matrix_vloc.o paw_vloc.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_vloc' Making clean in paw_ion_potential make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_ion_potential' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_ion_atom.o paw_matrix_ion.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_ion_potential' Making clean in paw_core make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_core' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_core_atom.o paw_matrix_core.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_core' Making clean in paw_hartree make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_hartree' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_matrix_hartree.o paw_pot_hartree.o paw_energy_hartree_atom.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_hartree' Making clean in paw_comp_pot make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_comp_pot' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_matrix_comp_pot.o paw_pot_comp.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_comp_pot' Making clean in paw_mult make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_mult' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_mult.o paw_mult_interaction.o paw_mult_energy.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_mult' Making clean in paw_nonlocal make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_nonlocal' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_nonlocal.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_nonlocal' Making clean in paw_density make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_density' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_density.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_density' Making clean in paw_xc make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_xc' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_xc.o paw_vosko.o paw_dirac_x.o paw_gga.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_xc' Making clean in paw_force make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_force' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_force.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_force' Making clean in paw_Grsm_list make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_Grsm_list' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_Grsm_list.o paw_lmbfgs.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_Grsm_list' Making clean in paw_psi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_psi' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_psi.o paw_psi2.o paw_psi_new.o paw_psi_H.o paw_electron.o paw_geodesic.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_psi' Making clean in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/cpsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_sd.o paw_cpmd.o paw_inner_loop.o paw_inner_loop_md.o psi_marat_write.o paw_output.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/cpsd' Making clean in cgsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/cgsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy.o paw_noit_energy.o paw_gradient.o paw_stress.o paw_minimizer.o paw_cgsd_energy.o paw_cgminimize.o paw_bfgsminimize.o paw_nominimize.o paw_sdminimize.o paw_cgsd_noit_energy.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/cgsd' Making clean in cell_optimize make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/cell_optimize' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_stress_numerical.o paw_stress_fd.o paw_cell_optimize.o paw_update_unitcell.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/cell_optimize' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt rm: cannot remove 'paw_core': Is a directory make[5]: [../../config/makelib.h:309: clean] Error 1 (ignored) if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo task_paw.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw' Making realclean in band make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in minimizer make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/minimizer' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/minimizer' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_minimizer.o c_cgsd_energy.o c_cgsd_noit_energy.o c_cgsd_energy_gradient.o c_cgsd_energy_stress.o c_cgsd_excited.o c_cgminimize.o c_cgminimize2.o c_cgminimizeABC.o c_bfgsminimize.o c_bfgsminimizeABC.o c_bybminimize0.o c_bybminimize.o c_bybminimize2.o c_sdminimize.o c_nominimize.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/minimizer' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/minimizer' Making realclean in structure make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/structure' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/structure' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_structure.o band_interpolate_structure.o band_kp_structure.o band_fft_structure.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/structure' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/structure' Making realclean in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/cpsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/cpsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_sd.o band_cpmd.o band_inner_loop.o band_inner_loop_md.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/cpsd' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/cpsd' Making realclean in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/cell_optimize' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/cell_optimize' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_stress_numerical.o band_stress_fd.o band_cell_optimize.o band_update_unitcell.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/cell_optimize' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/cell_optimize' Making realclean in kbpp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/kbpp' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/kbpp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo cpsp_formatter_auto.o borbs_formatter.o kbpp_band.o kbpp_band_orb.o setup_kbpp_band.o integrate_kbpp_band_local.o integrate_kbpp_band_nonlocal.o integrate_kbpp_band_orb.o kbpp_band_ray.o integrate_kbpp_band_ray.o integrate_kbpp_band_local_new.o integrate_kbpp_band_nonlocal_new.o cpsp_stress_formatter_auto.o kbpp_band_stress.o integrate_kbpp_band_stress_local.o integrate_kbpp_band_stress_nonlocal.o integrate_kbpp_band_stress_ray.o integrate_kbpp_band_stress_local_new.o integrate_kbpp_band_stress_nonlocal_new.o HGH_band_local.o HGH_band_nonlocal.o Tesseral_band.o Spherical_band.o hghpp_band.o rkbpp_band.o kbpp_e_band.o integrate_kbpp_e_band_nonlocal.o integrate_kbpp_e_band_nonlocal_new.o integrate_kbpp_e_band_local.o integrate_kbpp_e_band_local_new.o integrate_kbpp_e_band_ray.o kbpp_e_band_stress.o integrate_kbpp_e_band_stress_local.o integrate_kbpp_e_band_stress_local_new.o integrate_kbpp_e_band_stress_ray.o integrate_kbpp_e_band_stress_nonlocal.o integrate_kbpp_e_band_stress_nonlocal_new.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/kbpp' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/kbpp' Making realclean in makepsi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/makepsi' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/makepsi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo c_wvfnc_new.o c_wvfnc_expander.o c_wvfnc_adjust.o c_v_wvfnc_new.o pspw_reformat_c_wvfnc.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/makepsi' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/makepsi' Making realclean in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in cpsp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/cpsp' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/cpsp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/cpsp' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/cpsp' Making realclean in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/ke' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/ke' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo cke.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/ke' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/ke' Making realclean in coulomb make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/coulomb' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/coulomb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo c_coulomb.o c_coulomb_screened.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/coulomb' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/coulomb' Making realclean in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/electron' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/electron' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo c_electron.o cpsi_H.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/electron' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/electron' Making realclean in psi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/psi' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/psi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo cpsi.o c_geodesic.o c_geodesic2.o cpsi_lmbda.o cpsi_lmbda2.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o crho_read.o crho_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o c_rho_symmetrizer.o cpsi_printeigall.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/psi' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/psi' Making realclean in hfx make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/hfx' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/hfx' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_hfx.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/hfx' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/hfx' Making realclean in Grsm_list make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/Grsm_list' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/Grsm_list' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_Grsm_list.o band_lmbfgs.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/Grsm_list' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/Grsm_list' Making realclean in borbs make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/borbs' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/borbs' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo borbs.o borb_projector.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/borbs' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/borbs' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ rm: cannot remove '/build/reproducible-path/nwchem-7.2.2/lib/LINUX64/': Is a directory make[5]: [../../../config/makelib.h:350: realclean] Error 1 (ignored) make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib' Making clean in cpsp make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/cpsp' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/cpsp' Making clean in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/ke' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo cke.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/ke' Making clean in coulomb make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/coulomb' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo c_coulomb.o c_coulomb_screened.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/coulomb' Making clean in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/electron' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo c_electron.o cpsi_H.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/electron' Making clean in psi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/psi' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo cpsi.o c_geodesic.o c_geodesic2.o cpsi_lmbda.o cpsi_lmbda2.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o crho_read.o crho_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o c_rho_symmetrizer.o cpsi_printeigall.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/psi' Making clean in hfx make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/hfx' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_hfx.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/hfx' Making clean in Grsm_list make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/Grsm_list' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_Grsm_list.o band_lmbfgs.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/Grsm_list' Making clean in borbs make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/borbs' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo borbs.o borb_projector.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/borbs' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib' Making realclean in dplot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/dplot' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/dplot' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_dplot_input.o band_dplot.o band_dplot_iteration.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/dplot' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/dplot' Making realclean in analysis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/analysis' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in APC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/analysis/APC' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_APC.o band_atom_Efield.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/analysis/APC' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/analysis/APC' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/analysis' Making clean in APC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/analysis/APC' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_APC.o band_atom_Efield.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_analysis.o orb_pop_borb.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/analysis' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/analysis' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band' Making clean in minimizer make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/minimizer' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_minimizer.o c_cgsd_energy.o c_cgsd_noit_energy.o c_cgsd_energy_gradient.o c_cgsd_energy_stress.o c_cgsd_excited.o c_cgminimize.o c_cgminimize2.o c_cgminimizeABC.o c_bfgsminimize.o c_bfgsminimizeABC.o c_bybminimize0.o c_bybminimize.o c_bybminimize2.o c_sdminimize.o c_nominimize.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/minimizer' Making clean in structure make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/structure' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_structure.o band_interpolate_structure.o band_kp_structure.o band_fft_structure.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/structure' Making clean in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/cpsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_sd.o band_cpmd.o band_inner_loop.o band_inner_loop_md.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/cpsd' Making clean in cell_optimize make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/cell_optimize' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_stress_numerical.o band_stress_fd.o band_cell_optimize.o band_update_unitcell.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/cell_optimize' Making clean in kbpp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/kbpp' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo cpsp_formatter_auto.o borbs_formatter.o kbpp_band.o kbpp_band_orb.o setup_kbpp_band.o integrate_kbpp_band_local.o integrate_kbpp_band_nonlocal.o integrate_kbpp_band_orb.o kbpp_band_ray.o integrate_kbpp_band_ray.o integrate_kbpp_band_local_new.o integrate_kbpp_band_nonlocal_new.o cpsp_stress_formatter_auto.o kbpp_band_stress.o integrate_kbpp_band_stress_local.o integrate_kbpp_band_stress_nonlocal.o integrate_kbpp_band_stress_ray.o integrate_kbpp_band_stress_local_new.o integrate_kbpp_band_stress_nonlocal_new.o HGH_band_local.o HGH_band_nonlocal.o Tesseral_band.o Spherical_band.o hghpp_band.o rkbpp_band.o kbpp_e_band.o integrate_kbpp_e_band_nonlocal.o integrate_kbpp_e_band_nonlocal_new.o integrate_kbpp_e_band_local.o integrate_kbpp_e_band_local_new.o integrate_kbpp_e_band_ray.o kbpp_e_band_stress.o integrate_kbpp_e_band_stress_local.o integrate_kbpp_e_band_stress_local_new.o integrate_kbpp_e_band_stress_ray.o integrate_kbpp_e_band_stress_nonlocal.o integrate_kbpp_e_band_stress_nonlocal_new.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/kbpp' Making clean in makepsi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/makepsi' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo c_wvfnc_new.o c_wvfnc_expander.o c_wvfnc_adjust.o c_v_wvfnc_new.o pspw_reformat_c_wvfnc.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/makepsi' Making clean in lib make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in cpsp make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/cpsp' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/cpsp' Making clean in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/ke' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo cke.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/ke' Making clean in coulomb make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/coulomb' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo c_coulomb.o c_coulomb_screened.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/coulomb' Making clean in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/electron' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo c_electron.o cpsi_H.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/electron' Making clean in psi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/psi' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo cpsi.o c_geodesic.o c_geodesic2.o cpsi_lmbda.o cpsi_lmbda2.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o crho_read.o crho_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o c_rho_symmetrizer.o cpsi_printeigall.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/psi' Making clean in hfx make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/hfx' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_hfx.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/hfx' Making clean in Grsm_list make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/Grsm_list' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_Grsm_list.o band_lmbfgs.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/Grsm_list' Making clean in borbs make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/borbs' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo borbs.o borb_projector.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/borbs' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib' Making clean in dplot make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/dplot' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_dplot_input.o band_dplot.o band_dplot_iteration.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/dplot' Making clean in analysis make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/analysis' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in APC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/analysis/APC' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_APC.o band_atom_Efield.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_analysis.o orb_pop_borb.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/analysis' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_input.o task_band.o band_energy.o band_noit_energy.o band_gradient.o band_stress.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band' Making realclean in ofpw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in minimizer make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/minimizer' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/minimizer' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ] ; then \ echo ofpw_minimizer.o ofpw_cgsd_energy.o ofpw_cgminimize.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/minimizer' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/minimizer' Making realclean in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/cpsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/cpsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ] ; then \ echo ofpwsd.o inner_loop_ofpw.o chi_lmbda.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/cpsd' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/cpsd' Making realclean in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in chi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/chi' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/chi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ] ; then \ echo chi_read.o chi_write.o chi_new.o chi_expander.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/chi' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/chi' Making realclean in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/electron' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/electron' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ] ; then \ echo chi_H.o chi_Hv4.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/electron' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/electron' Making realclean in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/ke' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/ke' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ] ; then \ echo v_thomasfermi.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/ke' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/ke' Making realclean in WGC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/WGC' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/WGC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ] ; then \ echo wgc.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/WGC' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/WGC' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ rm: cannot remove '/build/reproducible-path/nwchem-7.2.2/lib/LINUX64/': Is a directory make[5]: [../../../config/makelib.h:350: realclean] Error 1 (ignored) make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib' Making clean in chi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/chi' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ] ; then \ echo chi_read.o chi_write.o chi_new.o chi_expander.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/chi' Making clean in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/electron' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ] ; then \ echo chi_H.o chi_Hv4.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/electron' Making clean in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/ke' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ] ; then \ echo v_thomasfermi.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/ke' Making clean in WGC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/WGC' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ] ; then \ echo wgc.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/WGC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw' Making clean in minimizer make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/minimizer' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ] ; then \ echo ofpw_minimizer.o ofpw_cgsd_energy.o ofpw_cgminimize.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/minimizer' Making clean in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/cpsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ] ; then \ echo ofpwsd.o inner_loop_ofpw.o chi_lmbda.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/cpsd' Making clean in lib make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in chi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/chi' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ] ; then \ echo chi_read.o chi_write.o chi_new.o chi_expander.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/chi' Making clean in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/electron' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ] ; then \ echo chi_H.o chi_Hv4.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/electron' Making clean in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/ke' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ] ; then \ echo v_thomasfermi.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/ke' Making clean in WGC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/WGC' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ] ; then \ echo wgc.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/WGC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ] ; then \ echo ofpw_energy.o task_ofpw.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpw.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined Making clean in nwpwlib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in Parallel make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/Parallel' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo Parallel.o Parallel-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/Parallel' Making clean in D1dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/D1dB' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo D1dB.o Dne.o Dnex.o skew.o Dne_omp.o D1dB-mpi.o D1dBs-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/D1dB' Making clean in D3dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/D3dB' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo D3dB-new.o D3dBs-new.o generate_map_indexes.o hilbert.o hcurve.o olist.o trans.o D3dB_pfft.o D3dBs_pfft.o D3dB-mpi.o D3dBs-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/D3dB' Making clean in Pneb make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/Pneb' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo Pneb.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/Pneb' Making clean in K1dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/K1dB' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo K1dB.o K1dB-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/K1dB' Making clean in C1dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/C1dB' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo C1dB.o C1dB-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/C1dB' Making clean in C3dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/C3dB' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo C3dB-new.o c_trans.o C3dB_pfft.o C3dB-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/C3dB' Making clean in DMatrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/DMatrix' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo DMatrix.o DMatrix-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/DMatrix' Making clean in CMatrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/CMatrix' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo CMatrix.o CMatrix-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/CMatrix' Making clean in TMatrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/TMatrix' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo dgemm_omp.o dgamm_omp.o daxpy_omp.o saxpy_omp.o dscal_omp.o zscal_omp.o ffm_multiply_omp_group.o zgemm_omp.o sgemm_omp.o ffw_multiply_omp_group.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/TMatrix' Making clean in control make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/control' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo control.o psi_get_ne.o psi_get_version.o psi_get_header.o cpsi_get_header.o rho_check_header.o get_psp_type.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/control' Making clean in lattice make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/lattice' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo lattice.o mask_init.o pack.o cloak.o cram.o balance.o c_balance.o G_init.o c_G_init.o strfac.o cstrfac.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/lattice' Making clean in io make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/io' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo compressed_io.o nwpw_message.o second.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/io' Making clean in ion make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/ion' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in shake make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/ion/shake' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo shake_chain.o shake_chain2.o shake_chain3.o shake_bonddiff.o shake_analysis.o molecular.o pspw_molecule.o pspw_atom.o pspw_bond.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/ion/shake' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo center.o ion_FixIon.o incell1.o incell2.o incell3.o unfold.o xyz.o ion.o katm_list.o fcoord.o seperate_molpsp.o seperate_pointcharge.o ion_scaling_atoms.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/ion' Making clean in pseudopotential make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/pseudopotential' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in paw_atom make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/pseudopotential/paw_atom' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo paw_atom_driver.o paw_atom.o paw_basis.o paw_scattering.o paw_schrodin.o paw_pauli.o paw_orbitals.o paw_kinetic_energy.o paw_potential.o paw_dirac_exchange.o paw_vosko.o paw_hartree.o paw_core.o paw_comp_charge.o paw_ion.o paw_matrix_elements.o paw_pred_cor.o paw_loggrid.o paw_bisect.o paw_error_function.o paw_get_inverse.o paw_my_constants.o paw_utilities.o paw_output.o paw_sdir.o paw_my_memory.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/pseudopotential/paw_atom' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo psp_generator_input.o pspsolve.o hgh_parse.o cpi_parse.o teter_parse.o carter_parse.o qmmm_parse.o get_word.o name.o loggrid.o pred_cor.o spline.o grids.o atom.o schrodin.o pauli.o dirac.o zora.o dft.o hartree.o dirac_exchange.o perdew_wang.o perdew_zunger.o vosko.o pbe_exchange.o pbe_correlation.o revpbe_exchange.o revpbe_correlation.o becke_exchange.o lyp_correlation.o hamann.o troullier.o xpansion.o gaussj.o vanderbilt.o xpansion2.o psp1d.o generate_rho_semicore.o debug.o rhamann.o rtroullier.o rpsp.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/pseudopotential' Making clean in utilities make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/utilities' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in paw_utilities make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/utilities/paw_utilities' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_gaunt.o nwpw_compcharge.o nwpw_gintegrals3.o nwpw_xc.o nwpw_vosko.o nwpw_gga.o nwpw_SpecialKummer.o nwpw_GaussBessel.o nwpw_WGaussian.o nwpw_gauss_weights.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/utilities/paw_utilities' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_filefind.o nwpw_scratch.o nwpw_list.o nwpw_scf_mixing.o nwpw_spline.o nwpw_interp.o kerker_G.o cpmd_properties.o nwpw_rdf.o pair_dist.o pair_dist2.o pair_distab.o auto_corr.o generate_unfolded_xyz.o matrix.o simp.o is_sORd.o psi_filefind.o v_psi_filefind.o getfilling.o CIF_write.o densityofstates.o MOTION_nframes.o spdf_name.o cell.o cellgeometry.o cpsi_data.o psi_data.o butter.o print_elapsed_time.o log_integrate.o nwpw_parse.o nwpw_matrix_invert.o analysis_expansion_coef.o nwpw_double_factorial.o nwpw_kbpp_ray.o nwpw_talker.o nwpw_expression.o nwpw_emachine.o BA_memory.o btdb.o beom.o task_paulsmatrix.o nwpw_cosmo.o nwpw_born.o nwpw_cdft.o nwpw_fftpack3d.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/utilities' Making clean in unitcell make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/unitcell' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo simulation_cell_input.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/unitcell' Making clean in brillouin_zone make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/brillouin_zone' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo brillouin_zone_input.o brillioun.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/brillouin_zone' Making clean in fractional make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/fractional' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo fractional.o frac_occ_input.o frac_occ.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/fractional' Making clean in linesearch make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/linesearch' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo linesearch.o Order_Values.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/linesearch' Making clean in timing make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/timing' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_timing.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/timing' Making clean in ewald make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/ewald' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo ewald.o ewald_strfac.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/ewald' Making clean in thermostats make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/thermostats' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo nose-hoover.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/thermostats' Making clean in MetaDynamics make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/MetaDynamics' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo metadynamics_input.o metadynamics_aux.o metadynamics.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/MetaDynamics' Making clean in TAMD make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/TAMD' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo tamd_input.o tamd.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/TAMD' Making clean in FMM make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/FMM' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo fmm.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/FMM' Making clean in md_xs make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/md_xs' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in FEFF6L make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/md_xs/FEFF6L' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo feff6Lib.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/md_xs/FEFF6L' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo md_xs_input.o md_xs.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/md_xs' Making clean in nwpwxc make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/nwpwxc' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpwxc_block.o nwpwxc_add.o nwpwxc_query.o nwpwxc_nwchem.o nwpwxc_vdw3d.o nwpwxc_eval.o nwpwxc_x_att.o nwpwxc_x_b88.o nwpwxc_x_bnl.o nwpwxc_x_camb88.o nwpwxc_x_camlsd.o nwpwxc_x_campbe.o nwpwxc_x_cams12.o nwpwxc_x_dirac.o nwpwxc_x_gill.o nwpwxc_x_hse08.o nwpwxc_x_ft97.o nwpwxc_x_m05.o nwpwxc_x_m06.o nwpwxc_x_m11.o nwpwxc_x_opt.o nwpwxc_x_pbe.o nwpwxc_x_rpbe.o nwpwxc_x_pkzb99.o nwpwxc_x_s12.o nwpwxc_x_sogga.o nwpwxc_x_tpss03.o nwpwxc_x_wpbe.o nwpwxc_x_vs98.o nwpwxc_c_b95.o nwpwxc_c_ft97.o nwpwxc_c_lyp.o nwpwxc_c_m05.o nwpwxc_c_m06.o nwpwxc_c_m11.o nwpwxc_c_opt.o nwpwxc_c_p91.o nwpwxc_c_p91_vwn5.o nwpwxc_c_pw91lda.o nwpwxc_c_sogga.o nwpwxc_c_pbe.o nwpwxc_c_Mpbe.o nwpwxc_c_pkzb99.o nwpwxc_c_tpss03.o nwpwxc_c_vs98.o nwpwxc_c_lsda.o nwpwxc_c_vwn1.o nwpwxc_c_vwn1_rpa.o nwpwxc_c_vwn2.o nwpwxc_c_vwn3.o nwpwxc_c_vwn4.o nwpwxc_c_vwn5.o nwpwxc_c_op.o nwpwxc_cs00.o nwpwxc_vdw3b.o nwpwxc_vdw3c.o nwpwxcP_xc_b97.o nwpwxc_x_b97.o nwpwxc_c_b97.o nwpwxc_xc_kt1.o nwpwxc_c_spbe.o nwpwxc_x_ssbD_1.o nwpwxc_c_perdew81.o nwpwxc_c_perdew86.o nwpwxc_x_pw91.o nwpwxc_x_pw6.o nwpwxc_x_b86b.o nwpwxc_x_scan.o nwpwxc_c_scan.o nwpwxc_vdw3a.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib/nwpwxc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/nwpwlib' Making clean in libraryps make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/libraryps' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_library.o nwpw_libfile.o nwpw_set_library.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/libraryps' Making clean in pspw make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in lib make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in psi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/psi' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo dipole.o dipole_efield.o orthocheck.o psi.o psi_spin2.o geodesic.o geodesic2.o Grassman.o psi_dmatrix.o psi_read.o psi_write.o rho_write.o rho_read.o v_psi_read.o v_psi_write.o psi_new.o v_psi_new.o psi_history.o psi_write_filename.o psi_read_filename.o polarizability.o berry_phase_pol.o rho_symmetrizer.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/psi' Making clean in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/electron' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo psi_H.o psi_Hv4.o electron.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/electron' Making clean in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/ke' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo ke.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/ke' Making clean in coulomb make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/coulomb' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies make[7]: Warning: File 'dependencies' has modification time 34410178 s in the future rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo coulomb.o coulomb2.o coulomb_screened.o coulomb_screened_small.o coulomb_filter.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: warning: Clock skew detected. Your build may be incomplete. make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/coulomb' Making clean in exchange-correlation make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/exchange-correlation' make[7]: Warning: File '/build/reproducible-path/nwchem-7.2.2/src/config/nwchem_config.h' has modification time 34408740 s in the future /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in vdw-DF make[8]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo vdw-DF.o vdw_DF_kernel.o vdw_DF_get_qmesh_filename.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[8]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo v_bwexc_all.o v_exc.o v_dirac.o v_mexc.o v_bwexc.o v_bwexc_euv.o nwpw_meta_gga.o pbe96.o pbesol.o revpbe.o blyp.o b3lyp.o bnl2007_x.o hsepbe.o beef_gga.o pw92c.o vs98.o tpss03.o scan.o r2scan.o pw91c.o pbe96x.o pbe96c.o m06.o m06-l.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/exchange-correlation' Making clean in sic make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/sic' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_sic.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/sic' Making clean in hfx make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/hfx' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_hfx.o pspw_shfx.o pspw_hfx_localized.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/hfx' Making clean in ion make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/ion' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo ion_ion.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/ion' Making clean in psp make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/psp' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo MOTION.o psp.o psp_olddebug.o psp_cmp_dE_Qlm.o paw.o psp_stress.o semicore.o semicore_force.o psp_U.o psp_ld.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/psp' Making clean in Grsm_list make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/Grsm_list' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/Grsm_list' Making clean in aorbs make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/aorbs' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo aorbs.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/aorbs' Making clean in truncating_function make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/truncating_function' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo truncating_function.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib/truncating_function' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lib' Making clean in kbpp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/kbpp' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo psp_formatter_input.o psp_formatter.o psp_stress_formatter.o pawppv1.o hghppv1.o HGH_local.o HGH_nonlocal.o Tesseral.o kbppv3.o kbppv3-stress.o setup_kbpp.o kbpp_ray.o integrate_kbppv3.o integrate_kbppv3_new.o integrate_kbppv3_ray.o integrate_stress.o integrate_stress_new.o integrate_stress_ray.o aorbs_formatter.o kbpp_orb.o integrate_kbpp_orb.o integrate_pawppv1.o integrate_paw_ray.o kbppv3d.o kbppv3d_stress.o integrate_kbppv3d.o integrate_d_stress.o integrate_kbppv3d_new.o integrate_d_stress_new.o kbppv3e.o kbppv3e_stress.o integrate_kbppv3e.o integrate_kbppv3e_new.o integrate_kbppv3e_ray.o integrate_e_stress.o integrate_e_stress_new.o integrate_e_stress_ray.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/kbpp' Making clean in makepsi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/makepsi' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo wvfnc_init_input.o wvfnc_init.o wvfnc_new.o wvfnc_expander_input.o wvfnc_expander.o wvfnc_reformat.o wvfnc_ionize.o wvfnc_adjust.o wvfnc_convert_restricted.o v_wvfnc_init_input.o v_wvfnc_init.o v_wvfnc_new.o pspw_wannier_input.o pspw_wannier.o silvestrelli_overlap.o silvestrelli_minimize.o pspw_wannier_old.o silvestrelli_overlap_old.o silvestrelli_minimize_old.o pspw_wannier2.o pspw_translate.o expand_cell.o wvfnc_expand_cell.o band_reformat_c_wvfnc.o makenodefunctions.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/makepsi' Making clean in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/cpsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo cpsd_input.o cpmd_input.o cpsdv5.o cpmdv5.o mmsdv1.o inner_loop_md.o mm_loop.o psi_lmbda.o psi_lmbda_sic.o psi_lmbda_paw.o psi_lmbda2.o psi_lmbda3.o psi_lmbda_omp.o fei_output.o dipole_motion.o pspw_et.o runsocket.o psi_lmbda_omp.o inner_loop.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/cpsd' Making clean in cgsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/cgsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo cgsd_input.o pspw_noit_energy.o pspw_energy.o pspw_gradient.o pspw_bq_gradient.o pspw_stress.o cgsdv5.o cgmontecarlov1.o cgoptimize1.o cgmdv5.o mmmdv1.o cgsd_noit_energy.o cgsd_energy.o cgsd_excited.o cgsd_oep_eigenvalues.o cgminimize.o cgminimize2.o cgminimizeABC.o bfgsminimize.o bfgsminimize2.o bfgsminimize3.o bfgsminimizeABC.o bybminimize0.o bybminimize.o bybminimize2.o sdminimize.o nominimize.o md_energy.o kp_structure.o pspw_director.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/cgsd' Making clean in analysis make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/analysis' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in APC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/analysis/APC' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_APC.o pspw_atom_Efield.o util_diag_jacobi.o util_sorteps.o pspw_atom_Efield_grad.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo analysis_input.o analysis.o orb_pop.o orb_pop_kawai.o orb_pop_aorb.o orb.o pspw_Lubin_water_analysis.o pspw_atom_analysis.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/analysis' Making clean in cell_optimize make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/cell_optimize' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo cell_optimize_input.o cell_optimize.o update_unitcell.o pspw_stress_numerical.o pspw_force_numerical.o force_fd.o stress_fd.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/cell_optimize' Making clean in qmmm make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in pspw_LJ make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_LJ' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_LJ.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_LJ' Making clean in pspw_Q make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_Q' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Q.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_Q' Making clean in pspw_Pair make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_Pair' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Pair.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/pspw_Pair' Making clean in mmq make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/mmq' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo mmq.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm/mmq' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_qmmm_input.o pspw_qmmm.o pspw_2qmmm.o pspw_springs.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/qmmm' Making clean in charge make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/charge' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_charge.o pspw_efield.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/charge' Making clean in dplot make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/dplot' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo pspw_dplot_input.o pspw_dplot.o pspw_dplot_iteration.o ELF.o Ursenbach_smoother.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/dplot' Making clean in lcao make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lcao' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo lcao_wvfnc.o wvfnc_new_lcao_density.o lcao_write_matrix.o lcao_generate_smatrix.o lcao_generate_kematrix.o lcao_generate_vlmatrix.o lcao_generate_vnlmatrix.o lcao_generate_vhxcmatrix.o lcao_init_dn.o lcao_new_dn.o lcao_make_psi.o lcao_write_psi.o lcaov1.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw/lcao' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ] ; then \ echo task_pspw.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/pspw' Making clean in paw make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in paw_geometry make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_geometry' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_geometry' Making clean in paw_ma make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_ma' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_ma.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_ma' Making clean in paw_utils make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_utils' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo integrate.o paw_utils.o io_utils.o chkerr.o double_factorial.o bessel_transform.o paw_gauss_weights.o paw_spher_grid.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_utils' Making clean in paw_basis make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_basis' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_basis.o paw_small_basis.o paw_basis_data.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_basis' Making clean in paw_proj make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_proj' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_proj.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_proj' Making clean in paw_matrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_matrix' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_comp_charge_matrix.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_matrix' Making clean in paw_ovlp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_ovlp' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_ovlp.o paw_overlap_matrix.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_ovlp' Making clean in paw_comp_charge make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_comp_charge' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_comp_charge.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_comp_charge' Making clean in paw_special_functions make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_special_functions' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_spher_func.o paw_double_factorial.o paw_gamma_function.o paw_hypergeom1F1.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_special_functions' Making clean in paw_gaunt make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_gaunt' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_gaunt.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_gaunt' Making clean in paw_kinetic make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_kinetic' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_kin_atom.o paw_matrix_kin.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_kinetic' Making clean in paw_vloc make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_vloc' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_vloc_atom.o paw_matrix_vloc.o paw_vloc.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_vloc' Making clean in paw_ion_potential make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_ion_potential' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_ion_atom.o paw_matrix_ion.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_ion_potential' Making clean in paw_core make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_core' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_core_atom.o paw_matrix_core.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_core' Making clean in paw_hartree make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_hartree' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_matrix_hartree.o paw_pot_hartree.o paw_energy_hartree_atom.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_hartree' Making clean in paw_comp_pot make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_comp_pot' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_matrix_comp_pot.o paw_pot_comp.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_comp_pot' Making clean in paw_mult make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_mult' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_mult.o paw_mult_interaction.o paw_mult_energy.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_mult' Making clean in paw_nonlocal make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_nonlocal' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_nonlocal.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_nonlocal' Making clean in paw_density make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_density' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_density.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_density' Making clean in paw_xc make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_xc' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_xc.o paw_vosko.o paw_dirac_x.o paw_gga.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_xc' Making clean in paw_force make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_force' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_force.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_force' Making clean in paw_Grsm_list make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_Grsm_list' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_Grsm_list.o paw_lmbfgs.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_Grsm_list' Making clean in paw_psi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_psi' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_psi.o paw_psi2.o paw_psi_new.o paw_psi_H.o paw_electron.o paw_geodesic.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/paw_psi' Making clean in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/cpsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_sd.o paw_cpmd.o paw_inner_loop.o paw_inner_loop_md.o psi_marat_write.o paw_output.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/cpsd' Making clean in cgsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/cgsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy.o paw_noit_energy.o paw_gradient.o paw_stress.o paw_minimizer.o paw_cgsd_energy.o paw_cgminimize.o paw_bfgsminimize.o paw_nominimize.o paw_sdminimize.o paw_cgsd_noit_energy.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/cgsd' Making clean in cell_optimize make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/cell_optimize' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo paw_stress_numerical.o paw_stress_fd.o paw_cell_optimize.o paw_update_unitcell.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw/cell_optimize' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt rm: cannot remove 'paw_core': Is a directory make[5]: [../../config/makelib.h:309: clean] Error 1 (ignored) if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ] ; then \ echo task_paw.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/paw' Making clean in band make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in minimizer make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/minimizer' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_minimizer.o c_cgsd_energy.o c_cgsd_noit_energy.o c_cgsd_energy_gradient.o c_cgsd_energy_stress.o c_cgsd_excited.o c_cgminimize.o c_cgminimize2.o c_cgminimizeABC.o c_bfgsminimize.o c_bfgsminimizeABC.o c_bybminimize0.o c_bybminimize.o c_bybminimize2.o c_sdminimize.o c_nominimize.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/minimizer' Making clean in structure make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/structure' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_structure.o band_interpolate_structure.o band_kp_structure.o band_fft_structure.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/structure' Making clean in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/cpsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_sd.o band_cpmd.o band_inner_loop.o band_inner_loop_md.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/cpsd' Making clean in cell_optimize make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/cell_optimize' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_stress_numerical.o band_stress_fd.o band_cell_optimize.o band_update_unitcell.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/cell_optimize' Making clean in kbpp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/kbpp' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo cpsp_formatter_auto.o borbs_formatter.o kbpp_band.o kbpp_band_orb.o setup_kbpp_band.o integrate_kbpp_band_local.o integrate_kbpp_band_nonlocal.o integrate_kbpp_band_orb.o kbpp_band_ray.o integrate_kbpp_band_ray.o integrate_kbpp_band_local_new.o integrate_kbpp_band_nonlocal_new.o cpsp_stress_formatter_auto.o kbpp_band_stress.o integrate_kbpp_band_stress_local.o integrate_kbpp_band_stress_nonlocal.o integrate_kbpp_band_stress_ray.o integrate_kbpp_band_stress_local_new.o integrate_kbpp_band_stress_nonlocal_new.o HGH_band_local.o HGH_band_nonlocal.o Tesseral_band.o Spherical_band.o hghpp_band.o rkbpp_band.o kbpp_e_band.o integrate_kbpp_e_band_nonlocal.o integrate_kbpp_e_band_nonlocal_new.o integrate_kbpp_e_band_local.o integrate_kbpp_e_band_local_new.o integrate_kbpp_e_band_ray.o kbpp_e_band_stress.o integrate_kbpp_e_band_stress_local.o integrate_kbpp_e_band_stress_local_new.o integrate_kbpp_e_band_stress_ray.o integrate_kbpp_e_band_stress_nonlocal.o integrate_kbpp_e_band_stress_nonlocal_new.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/kbpp' Making clean in makepsi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/makepsi' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo c_wvfnc_new.o c_wvfnc_expander.o c_wvfnc_adjust.o c_v_wvfnc_new.o pspw_reformat_c_wvfnc.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/makepsi' Making clean in lib make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in cpsp make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/cpsp' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/cpsp' Making clean in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/ke' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo cke.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/ke' Making clean in coulomb make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/coulomb' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo c_coulomb.o c_coulomb_screened.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/coulomb' Making clean in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/electron' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo c_electron.o cpsi_H.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/electron' Making clean in psi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/psi' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo cpsi.o c_geodesic.o c_geodesic2.o cpsi_lmbda.o cpsi_lmbda2.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o crho_read.o crho_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o c_rho_symmetrizer.o cpsi_printeigall.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/psi' Making clean in hfx make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/hfx' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_hfx.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/hfx' Making clean in Grsm_list make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/Grsm_list' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_Grsm_list.o band_lmbfgs.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/Grsm_list' Making clean in borbs make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/borbs' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo borbs.o borb_projector.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib/borbs' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/lib' Making clean in dplot make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/dplot' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_dplot_input.o band_dplot.o band_dplot_iteration.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/dplot' Making clean in analysis make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/analysis' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in APC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/analysis/APC' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_APC.o band_atom_Efield.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_analysis.o orb_pop_borb.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band/analysis' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ] ; then \ echo band_input.o task_band.o band_energy.o band_noit_energy.o band_gradient.o band_stress.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/band' Making clean in ofpw make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in minimizer make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/minimizer' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ] ; then \ echo ofpw_minimizer.o ofpw_cgsd_energy.o ofpw_cgminimize.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/minimizer' Making clean in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/cpsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ] ; then \ echo ofpwsd.o inner_loop_ofpw.o chi_lmbda.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/cpsd' Making clean in lib make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in chi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/chi' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ] ; then \ echo chi_read.o chi_write.o chi_new.o chi_expander.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/chi' Making clean in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/electron' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ] ; then \ echo chi_H.o chi_Hv4.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/electron' Making clean in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/ke' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ] ; then \ echo v_thomasfermi.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/ke' Making clean in WGC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/WGC' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ] ; then \ echo wgc.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib/WGC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw/lib' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ] ; then \ echo ofpw_energy.o task_ofpw.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw/ofpw' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpw.a ] ; then \ echo nwpw_input.o nwpw_default.o nwpw_vectors_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwpw' Making realclean in fft make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/fft' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in pfft1.0 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/fft/pfft1.0' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in fftpack make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/fft/pfft1.0/fftpack' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/fft/pfft1.0/fftpack' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a ] ; then \ echo dcfftb.o scfftb.o dcfftf.o scfftf.o dcffti.o scffti.o dcftb1.o scftb1.o dcftf1.o scftf1.o dcfti1.o scfti1.o dpssb.o spssb.o dpssb2.o spssb2.o dpssb3.o spssb3.o dpssb4.o spssb4.o dpssb5.o spssb5.o dpssf.o spssf.o dpssf2.o spssf2.o dpssf3.o spssf3.o dpssf4.o spssf4.o dpssf5.o spssf5.o drfftb.o srfftb.o drfftf.o srfftf.o drffti.o srffti.o drftb1.o srftb1.o drftf1.o srftf1.o drfti1.o srfti1.o dradb2.o sradb2.o dradb3.o sradb3.o dradb4.o sradb4.o dradb5.o sradb5.o dradbg.o sradbg.o dradf2.o sradf2.o dradf3.o sradf3.o dradf4.o sradf4.o dradf5.o sradf5.o dradfg.o sradfg.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/fft/pfft1.0/fftpack' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/fft/pfft1.0/fftpack' Making realclean in pfft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/fft/pfft1.0/pfft' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/fft/pfft1.0/pfft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a ] ; then \ echo blktrn.o drain.o fillup.o mapfil.o mapchk.o prlst2.o xstop.o pairup.o gexit.o igdiff.o lstcnt.o lstind.o pfft.o pfft3d.o prfft3.o prfft.o prffti.o chk3d.o mfftc1.o mfftr1.o mcfftr.o mrfftr.o pfft1i.o pfft1.o wrkspc2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/fft/pfft1.0/pfft' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/fft/pfft1.0/pfft' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ rm: cannot remove '/build/reproducible-path/nwchem-7.2.2/lib/LINUX64/': Is a directory make[4]: [../../config/makelib.h:350: realclean] Error 1 (ignored) make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/fft/pfft1.0' Making clean in fftpack make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/fft/pfft1.0/fftpack' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a ] ; then \ echo dcfftb.o scfftb.o dcfftf.o scfftf.o dcffti.o scffti.o dcftb1.o scftb1.o dcftf1.o scftf1.o dcfti1.o scfti1.o dpssb.o spssb.o dpssb2.o spssb2.o dpssb3.o spssb3.o dpssb4.o spssb4.o dpssb5.o spssb5.o dpssf.o spssf.o dpssf2.o spssf2.o dpssf3.o spssf3.o dpssf4.o spssf4.o dpssf5.o spssf5.o drfftb.o srfftb.o drfftf.o srfftf.o drffti.o srffti.o drftb1.o srftb1.o drftf1.o srftf1.o drfti1.o srfti1.o dradb2.o sradb2.o dradb3.o sradb3.o dradb4.o sradb4.o dradb5.o sradb5.o dradbg.o sradbg.o dradf2.o sradf2.o dradf3.o sradf3.o dradf4.o sradf4.o dradf5.o sradf5.o dradfg.o sradfg.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/fft/pfft1.0/fftpack' Making clean in pfft make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/fft/pfft1.0/pfft' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a ] ; then \ echo blktrn.o drain.o fillup.o mapfil.o mapchk.o prlst2.o xstop.o pairup.o gexit.o igdiff.o lstcnt.o lstind.o pfft.o pfft3d.o prfft3.o prfft.o prffti.o chk3d.o mfftc1.o mfftr1.o mcfftr.o mrfftr.o pfft1i.o pfft1.o wrkspc2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/fft/pfft1.0/pfft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/fft/pfft1.0' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/fft/pfft1.0' Making realclean in pfftwrap make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/fft/pfftwrap' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/fft/pfftwrap' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a ] ; then \ echo nwfft3d.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/fft/pfftwrap' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/fft/pfftwrap' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/fft' Making clean in pfft1.0 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/fft/pfft1.0' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in fftpack make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/fft/pfft1.0/fftpack' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a ] ; then \ echo dcfftb.o scfftb.o dcfftf.o scfftf.o dcffti.o scffti.o dcftb1.o scftb1.o dcftf1.o scftf1.o dcfti1.o scfti1.o dpssb.o spssb.o dpssb2.o spssb2.o dpssb3.o spssb3.o dpssb4.o spssb4.o dpssb5.o spssb5.o dpssf.o spssf.o dpssf2.o spssf2.o dpssf3.o spssf3.o dpssf4.o spssf4.o dpssf5.o spssf5.o drfftb.o srfftb.o drfftf.o srfftf.o drffti.o srffti.o drftb1.o srftb1.o drftf1.o srftf1.o drfti1.o srfti1.o dradb2.o sradb2.o dradb3.o sradb3.o dradb4.o sradb4.o dradb5.o sradb5.o dradbg.o sradbg.o dradf2.o sradf2.o dradf3.o sradf3.o dradf4.o sradf4.o dradf5.o sradf5.o dradfg.o sradfg.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/fft/pfft1.0/fftpack' Making clean in pfft make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/fft/pfft1.0/pfft' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a ] ; then \ echo blktrn.o drain.o fillup.o mapfil.o mapchk.o prlst2.o xstop.o pairup.o gexit.o igdiff.o lstcnt.o lstind.o pfft.o pfft3d.o prfft3.o prfft.o prffti.o chk3d.o mfftc1.o mfftr1.o mcfftr.o mrfftr.o pfft1i.o pfft1.o wrkspc2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/fft/pfft1.0/pfft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/fft/pfft1.0' Making clean in pfftwrap make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/fft/pfftwrap' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a ] ; then \ echo nwfft3d.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/fft/pfftwrap' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/fft' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/fft' Making realclean in python make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/python' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/include/python3.11 -I/usr/include/python3.11 -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpython.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/python' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpython.a ] ; then \ echo python_input.o task_python.o nwchem_wrap.o nw_inp_from_string.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpython.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpython.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwpython.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/python' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/python' Making realclean in analyz make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/analyz' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libanalyze.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/analyz' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libanalyze.a ] ; then \ echo ana_angle.o ana_atrad.o ana_bond.o ana_chgdst.o ana_data.o ana_define.o ana_diel.o ana_esppt.o ana_finish.o ana_groups.o ana_hbond.o ana_index.o ana_init.o ana_inirms.o ana_initx.o ana_input.o ana_pltgrd.o ana_rama.o ana_rdhdr.o ana_rdf.o ana_rdfram.o ana_rdref.o ana_rdtop.o ana_report.o ana_rmsdev.o ana_rtdbin.o ana_select.o ana_sizref.o ana_tag.o ana_task.o ana_torsion.o ana_wtfram.o ana_wthdr.o ana_wrtpdb.o ana_wrtxyz.o ana_xaver.o ana_covar.o analyz.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libanalyze.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libanalyze.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libanalyze.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/analyz' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/analyz' Making realclean in nwmd make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwmd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwmd.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/nwmd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwmd.a ] ; then \ echo nwmd.o md_start.o md_input.o md_main.o md_finish.o prp_init.o prp_main.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwmd.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwmd.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libnwmd.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwmd' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/nwmd' Making realclean in cafe make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/cafe' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libcafe.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/cafe' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libcafe.a ] ; then \ echo cf_d.o cf_fp.o cf_f.o cf_finish.o cf_forces.o cf_forcep.o cf_hopping.o cf_induce.o cf_init.o cf_list.o cf_main.o cf_pairs.o cf_pbc.o cf_rdgeom.o cf_shake.o cf_grid.o cf_rdtop.o cf_uhop.o pme_init.o pme_fft.o pme_grid.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libcafe.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libcafe.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libcafe.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/cafe' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/cafe' Making realclean in space make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/space' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libspace.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/space' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libspace.a ] ; then \ echo sp_init.o sp_main.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libspace.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libspace.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libspace.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/space' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/space' Making realclean in drdy make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/drdy' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdrdy.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/drdy' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdrdy.a ] ; then \ echo atsym.o drdy.o drdy_input.o Input_for_drdy.o drdy_synch.o read_drdy_rtdb.o rgener.o ratoms.o rstat.o rpath.o rgeom.o rgsad.o rphwrt.o drdy_sort.o react.o potset_nwchem.o trans.o tranf.o drdy_center.o rotx.o moiten.o pot2.o rotmat.o rotg.o rotf.o restor.o drdy_nwc_get.o react2.o saddle.o setpth.o diagf.o pmlqsp.o mxlneq.o pmclqa.o path.o path2.o pot1.o euler.o pmlqa.o dsdt.o rsp.o pmcube.o fdiag.o potsp.o projct.o pythag.o getstr.o io.o sumout.o wfiles.o nwc_gen.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdrdy.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdrdy.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdrdy.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/drdy' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/drdy' Making realclean in vscf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/vscf' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libvscf.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/vscf' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libvscf.a ] ; then \ echo vscf_input.o vscf.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libvscf.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libvscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libvscf.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/vscf' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/vscf' Making realclean in qmmm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/qmmm' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libqmmm.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/qmmm' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libqmmm.a ] ; then \ echo qmmm.o task_qmmm_gradient.o mm_interface.o qmmm_link.o qmmm_data.o qmmm_lbfgsb.o qmmm_utils.o task_qmmm_energy.o qmmm_main.o qmmm_check_forces.o qmmm_bq.o qmmm_esp.o qmmm_cons.o qmmm_geom.o qmmm_bq_data.o task_qmmm_optimize.o task_qmmm_dynamics.o qmmm_output.o mm_utils.o qmmm_input.o qmmm_pes.o qmmm_property.o task_qmmm_fep.o task_qmmm_abc.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libqmmm.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libqmmm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libqmmm.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/qmmm' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/qmmm' Making realclean in qmd make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/qmd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libqmd.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/qmd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libqmd.a ] ; then \ echo qmd_init.o qmd_driver.o qmd_main.o qmd_input.o qmd_start.o task_qmd.o qmd_nucl_dt2.o qmd_nucl_dt.o qmd_gradient.o qmd_geom_store.o qmd_thermostat.o qmd_kinetic.o qmd_write_trj.o qmd_write_rst.o qmd_ran1.o qmd_gasdev.o qmd_randomize.o qmd_nucl_pos.o qmd_nucl_vel.o qmd_read_rst.o qmd_gamdev.o qmd_sumno.o qmd_fix_momentum.o qmd_freeze_inactive.o qmd_cavity.o qmd_energy.o qmd_coup.o qmd_move_civecs.o qmd_elec_prop.o qmd_tdks_enmo.o qmd_tddft_enmo.o qmd_namd_init.o qmd_namd_input.o qmd_set_den.o qmd_coords_vels.o qmd_civecs_read.o qmd_property.o qmd_ext.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libqmd.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libqmd.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libqmd.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/qmd' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/qmd' Making realclean in etrans make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/etrans' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libetrans.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/etrans' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libetrans.a ] ; then \ echo et_calc.o et_calc_fmo.o et_fmo_util.o et_input.o et_det.o et_2e.o et_movecs_read.o et_vectors_inp.o et_fock.o et_dens_prod.o et_omega2_mult.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libetrans.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libetrans.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libetrans.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/etrans' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/etrans' Making realclean in tce make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I./include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in include make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/include' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ rm: cannot remove '/build/reproducible-path/nwchem-7.2.2/lib/LINUX64/': Is a directory make[4]: [../../config/makelib.h:351: realclean] Error 1 (ignored) make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/include' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/include' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/include' Making realclean in diis make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/diis' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/diis' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo tce_diis.o tce_diis_init.o tce_diis_switch.o tce_diis_tidy.o tce_jacobi_t1.o tce_jacobi_t2.o tce_jacobi_t3.o tce_jacobi_t4.o tce_jacobi_l1.o tce_jacobi_l2.o tce_jacobi_l3.o tce_jacobi_l4.o tce_jacobi_x1.o tce_jacobi_x2.o tce_jacobi_x3.o tce_jacobi_x4.o tce_jacobi_y1.o tce_jacobi_y2.o tce_jacobi_y3.o tce_jacobi_y4.o tce_jacobi_t3a.o tce_jacobi_x3a.o t2_2_y2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/diis' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/diis' Making realclean in diis2 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/diis2' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/diis2' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo tce_diis2.o tce_jacobi_tr1.o tce_jacobi_tr2.o tce_jacobi_tr3.o tce_jacobi_tr4.o tce_jacobi_lr1.o tce_jacobi_lr2.o tce_jacobi_lr3.o tce_jacobi_lr4.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/diis2' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/diis2' Making realclean in gradients make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/gradients' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/gradients' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo tce_gradient.o ccsd_energy.o ccsd_left.o ccsd_gradient.o ccsd_1pdm_hh_mo.o ccsd_1pdm_pp_mo.o ccsd_1pdm_hp_mo.o ccsd_1pdm_ph_mo.o ccsd_2pdm_hhhh_mo.o ccsd_2pdm_hhhp_mo.o ccsd_2pdm_hhpp_mo.o ccsd_2pdm_hphh_mo.o ccsd_2pdm_hphp_mo.o ccsd_2pdm_hppp_mo.o ccsd_2pdm_pphh_mo.o ccsd_2pdm_pphp_mo.o ccsd_2pdm_pppp_mo.o zvec_x_a_a.o zvec_x_a_b_a.o zvec_x_a_b_b.o zvec_x_a_c_a.o zvec_x_a_c_b.o zvec_x_a_d.o zvec_x_a_e_a.o zvec_x_a_e_b.o zvec_x_a_f_a.o zvec_x_a_f_b.o zvec_x_b_a_a.o zvec_x_b_a_b.o zvec_x_b_b_a.o zvec_x_b_b_b.o zvec_x_b_c.o zvec_x_b_d_a.o zvec_x_b_d_b.o zvec_x_b_e_a.o zvec_x_b_e_b.o zvec_x_b_f.o zvec_x_c_a.o zvec_x_c_b.o ccsd_zvec.o wdm_hh_mo_a.o wdm_hh_mo_b_a_a.o wdm_hh_mo_b_a_b.o wdm_hh_mo_b_b_a.o wdm_hh_mo_b_b_b.o wdm_hh_mo_c_a.o wdm_hh_mo_c_b_a.o wdm_hh_mo_c_b_b.o wdm_hh_mo_c_c_a.o wdm_hh_mo_c_c_b.o wdm_hh_mo_c_d.o wdm_hh_mo_c_e_a.o wdm_hh_mo_c_e_b.o wdm_hh_mo_c_f_a.o wdm_hh_mo_c_f_b.o wdm_hh_mo_d.o wdm_hp_mo_a.o wdm_hp_mo_b_a_a.o wdm_hp_mo_b_a_b.o wdm_hp_mo_b_b_a.o wdm_hp_mo_b_b_b.o wdm_hp_mo_b_c.o wdm_hp_mo_b_d_a.o wdm_hp_mo_b_d_b.o wdm_hp_mo_b_e_a.o wdm_hp_mo_b_e_b.o wdm_hp_mo_b_f.o wdm_hp_mo_c.o wdm_pp_mo_a.o wdm_pp_mo_b_a_a.o wdm_pp_mo_b_a_b.o wdm_pp_mo_b_b_a.o wdm_pp_mo_b_b_b.o wdm_pp_mo_b_c.o wdm_pp_mo_b_d_a.o wdm_pp_mo_b_d_b.o wdm_pp_mo_b_e_a.o wdm_pp_mo_b_e_b.o wdm_pp_mo_b_f.o tce_grad_tidy.o tce_ccsd_1prdm.o tce_dens_hhhh_offset.o tce_dens_hhhp_offset.o tce_dens_hhpp_offset.o tce_dens_hphh_offset.o tce_dens_hphp_offset.o tce_dens_hppp_offset.o tce_dens_pphh_offset.o tce_dens_pphp_offset.o tce_dens_pppp_offset.o tce_zvec_x1_offset.o tce_2pdm_offset.o put_2pdm_hhhh.o put_2pdm_hhhp.o put_2pdm_hhpp.o put_2pdm_hphh.o put_2pdm_hphp.o put_2pdm_hppp.o put_2pdm_pphh.o put_2pdm_pphp.o put_2pdm_pppp.o tce_1pdm_offset.o put_1pdm_hh.o put_1pdm_hp.o put_1pdm_ph.o put_1pdm_ph_2.o put_1pdm_pp.o put_1pwdm_hp.o ao_tiles.o btrans1.o ao_1prdm_write.o tce_gradients_doit.o tce_grad_force.o tce_grad1.o tce_grad2.o sym_2pdm_ao.o btrans2.o eomccsd_energy.o eomccsd_left.o eomccsd_gradients.o eomccsd_1pdm_hh_mo.o eomccsd_1pdm_pp_mo.o tce_eomccsd_1prdm.o eomccsd_2pdm_hhhh_mo.o eomccsd_2pdm_hhhp_mo.o eomccsd_2pdm_hhpp_mo.o eomccsd_2pdm_hphh_mo.o eomccsd_2pdm_hphp_mo.o eomccsd_2pdm_hppp_mo.o eomccsd_2pdm_pphh_mo.o eomccsd_2pdm_pphp_mo.o eomccsd_2pdm_pppp_mo.o eomccsd_z1.o eomccsd_z2.o eomccsd_2pdm_pphh_zvec_mo.o eomccsd_1pdm_hp_mo.o eomccsd_1pdm_ph_mo.o eomccsd_x1_grad.o eomccsd_x2_grad.o tce_eom_xdiagon_grad.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/gradients' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/gradients' Making realclean in ccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo ccsd_e.o ccsd_t1.o ccsd_t2.o cc2_t1.o cc2_t2.o ccsd_1prdm.o ccsd_1prdm_hh.o ccsd_1prdm_hp.o ccsd_1prdm_ph.o ccsd_1prdm_pp.o icsd_t1.o icsd_t2.o ccsd_kernels.o ccsd_t2_8.o tce_1b_dens_print.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd' Making realclean in ccsd_lambda make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_lambda' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_lambda' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo ccsd_lambda1_1.o ccsd_lambda1_2.o ccsd_lambda2.o ccsd_density1.o ccsd_lambda1_mod.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_lambda' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_lambda' Making realclean in eomccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/eomccsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/eomccsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo eomccsd_x1.o eomccsd_x2.o eomccsd_y1.o eomccsd_y2.o eomccsd_density1.o eomccsd_denominator.o cc2_x1.o cc2_x2.o eomccsd_1prdm.o eomccsd_1prdm_hh.o eomccsd_1prdm_hp.o eomccsd_1prdm_ph.o eomccsd_1prdm_pp.o eomccsd_x1_old.o eomccsd_x2_old.o eomicsd_x1.o eomicsd_x2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/eomccsd' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/eomccsd' Making realclean in ccsd_t make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_t' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_t' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo cr_ccsd_t.o lr_ccsd_t.o ccsd_t.o ccsd_t_doubles.o ccsd_t_singles.o lambda_ccsd_t.o lambda_ccsd_t_left.o ccsd_t_doubles_l.o ccsd_t_singles_l.o ccsd2_t.o ccsd2_t_left.o ccsd2_q.o ccsd2_q_left.o ccsd2_q_right.o ccsdt2_q.o ccsdt2_q_left.o ccsdt2_q_right.o cr_ccsd_t_D.o cr_ccsd_t_E.o cr_ccsd_t_N.o lr_ccsd_tq.o cr_qcisd_t.o m2_dot_m1t1.o ccsd_t_restart.o ccsd_t_6dts.o ccsd_t_singles_l_6dts.o ccsd_t_doubles_l_6dts.o ccsd_t_dts_kernels_omp.o ccsd_t_transpose.o offl_ccsd_t_doubles_l.o ccsd_t_kernels_omp.o tce_hashnsort.o ccsd_t_pstat.o ccsd_t_dot.o ccsd_t_neword.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_t' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_t' Making realclean in cr-eomccsd_t make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cr-eomccsd_t' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cr-eomccsd_t' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo c1_c1.o c2_c2.o cr_eomccsd_t.o cr_eomccsd_t_gr.o t2t12.o nr0.o c1excit2.o c2excit2.o q3rexpt2.o cr_s_m3.o cr_eomccsd_t_n2.o cr_eomccsd_t_n2_1.o cr_eomccsd_t_n2_1_1.o offset_cr_eomccsd_t_n2_1_1.o cr_eomccsd_t_n2_1_1_1.o offset_cr_eomccsd_t_n2_1_1_1.o cr_eomccsd_t_n2_1_1_2.o cr_eomccsd_t_n2_1_1_2_1.o offset_cr_eomccsd_t_n2_1_1_2_1.o cr_eomccsd_t_n2_1_1_2_2.o cr_eomccsd_t_n2_1_1_3.o cr_eomccsd_t_n2_1_2.o cr_eomccsd_t_n2_1_3.o cr_eomccsd_t_n2_1_3_1.o offset_cr_eomccsd_t_n2_1_3_1.o cr_eomccsd_t_n2_1_3_2.o cr_eomccsd_t_n2_1_3_2_1.o offset_cr_eomccsd_t_n2_1_3_2_1.o cr_eomccsd_t_n2_1_3_3.o cr_eomccsd_t_n2_1_4.o cr_eomccsd_t_n2_1_4_1.o offset_cr_eomccsd_t_n2_1_4_1.o cr_eomccsd_t_n2_1_5.o cr_eomccsd_t_n2_1_5_1.o offset_cr_eomccsd_t_n2_1_5_1.o cr_eomccsd_t_n2_1_6.o cr_eomccsd_t_n2_1_6_1.o offset_cr_eomccsd_t_n2_1_6_1.o cr_eomccsd_t_n2_1_7.o cr_eomccsd_t_n2_1_7_1.o offset_cr_eomccsd_t_n2_1_7_1.o cr_eomccsd_t_n2_1_7_2.o cr_eomccsd_t_n2_1_8.o cr_eomccsd_t_n2_1_8_1.o offset_cr_eomccsd_t_n2_1_8_1.o cr_eomccsd_t_n2_1_8_2.o cr_eomccsd_t_n2_1_9.o cr_eomccsd_t_n2_2.o cr_eomccsd_t_n2_2_1.o offset_cr_eomccsd_t_n2_2_1.o cr_eomccsd_t_n2_2_1_1.o offset_cr_eomccsd_t_n2_2_1_1.o cr_eomccsd_t_n2_2_1_2.o cr_eomccsd_t_n2_2_1_3.o cr_eomccsd_t_n2_2_1_4.o cr_eomccsd_t_n2_3.o cr_eomccsd_t_n2_3_1.o offset_cr_eomccsd_t_n2_3_1.o cr_eomccsd_t_n2_3_2.o cr_eomccsd_t_n2_3_2_1.o offset_cr_eomccsd_t_n2_3_2_1.o cr_eomccsd_t_n2_3_3.o cr_eomccsd_t_n2_3_3_1.o offset_cr_eomccsd_t_n2_3_3_1.o cr_eomccsd_t_n2_3_3_2.o cr_eomccsd_t_n2_3_4.o cr_eomccsd_t_n2_4.o cr_eomccsd_t_n2_4_1.o offset_cr_eomccsd_t_n2_4_1.o cr_eomccsd_t_n2_4_1_1.o offset_cr_eomccsd_t_n2_4_1_1.o cr_eomccsd_t_n2_4_1_2.o cr_eomccsd_t_n2_4_1_2_1.o offset_cr_eomccsd_t_n2_4_1_2_1.o cr_eomccsd_t_n2_4_1_3.o cr_eomccsd_t_n2_4_1_3_1.o offset_cr_eomccsd_t_n2_4_1_3_1.o cr_eomccsd_t_n2_4_1_4.o cr_eomccsd_t_n2_4_2.o cr_eomccsd_t_n2_4_2_1.o offset_cr_eomccsd_t_n2_4_2_1.o cr_eomccsd_t_n2_4_2_2.o cr_eomccsd_t_n2_4_2_2_1.o offset_cr_eomccsd_t_n2_4_2_2_1.o cr_eomccsd_t_n2_4_2_2_2.o cr_eomccsd_t_n2_4_2_3.o cr_eomccsd_t_n2_4_2_4.o cr_eomccsd_t_n2_5.o cr_eomccsd_t_n2_5_1.o offset_cr_eomccsd_t_n2_5_1.o cr_eomccsd_t_n2_5_2.o cr_eomccsd_t_n2_5_2_1.o offset_cr_eomccsd_t_n2_5_2_1.o cr_eomccsd_t_n2_5_2_2.o cr_eomccsd_t_n2_5_2_2_1.o offset_cr_eomccsd_t_n2_5_2_2_1.o cr_eomccsd_t_n2_5_2_2_2.o cr_eomccsd_t_n2_5_2_3.o cr_eomccsd_t_n2_5_3.o cr_eomccsd_t_n2_5_3_1.o offset_cr_eomccsd_t_n2_5_3_1.o cr_eomccsd_t_n2_5_3_2.o cr_eomccsd_t_n2_5_4.o cr_eomccsd_t_n2_5_4_1.o offset_cr_eomccsd_t_n2_5_4_1.o cr_eomccsd_t_n2_5_4_2.o cr_eomccsd_t_n2_5_5.o cr_eomccsd_t_n2_5_5_1.o offset_cr_eomccsd_t_n2_5_5_1.o cr_eomccsd_t_n2_5_5_2.o cr_eomccsd_t_n2_5_6.o cr_eomccsd_t_n2_6.o cr_eomccsd_t_n2_6_1.o offset_cr_eomccsd_t_n2_6_1.o cr_eomccsd_t_n2_6_2.o cr_eomccsd_t_n2_6_3.o cr_eomccsd_t_n2_6_3_1.o offset_cr_eomccsd_t_n2_6_3_1.o cr_eomccsd_t_n2_6_3_2.o cr_eomccsd_t_n2_6_4.o creomccsd_t_n2_mem.o q3rexpt2_6dts.o creomccsd_t_n2_mem_6dts.o cr_eomccsd_t_6dts.o cr_ccsd_t_N_6dts.o cr_ccsd_t_E_6dts.o cr_eomccsd_t_6dts_d4d5_parallel.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cr-eomccsd_t' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cr-eomccsd_t' Making realclean in lrh make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/lrh' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/lrh' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo tce_loc_j1.o tce_loc_j2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/lrh' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/lrh' Making realclean in emb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/emb' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/emb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo c1v.o c2vt1_s.o emb1.o emb2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/emb' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/emb' Making realclean in ccd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo ccd_e.o ccd_t2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccd' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccd' Making realclean in lccd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/lccd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/lccd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo lccd_e.o lccd_t2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/lccd' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/lccd' Making realclean in lccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/lccsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/lccsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo lccsd_e.o lccsd_t1.o lccsd_t2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/lccsd' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/lccsd' Making realclean in qcisd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/qcisd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/qcisd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo qcisd_e.o qcisd_t1.o qcisd_t2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/qcisd' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/qcisd' Making realclean in cc3 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cc3' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cc3' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo cc3_t3.o ccsdt1b_t3.o ccsdt2_t3.o ccsdt3_t3.o eomccsdt1_x3.o eomcc3_x3.o eomccsdt3_x3.o cc3_lambda3.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cc3' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cc3' Making realclean in mbpt1 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mbpt1' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mbpt1' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo mbpt1_t1.o mbpt1_t2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mbpt1' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mbpt1' Making realclean in mbpt2 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mbpt2' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mbpt2' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo mbpt2_e.o mbpt2_t1.o mbpt2_t2.o mbpt2_t2_b.o mbpt2_t3.o mbpt2_t1_sd.o mbpt2_t2_sd.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mbpt2' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mbpt2' Making realclean in mbpt3 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mbpt3' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mbpt3' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo mbpt3_e.o mbpt3_t1.o mbpt3_t2.o mbpt3_t1_sd.o mbpt3_t2_sd.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mbpt3' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mbpt3' Making realclean in mbpt4 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mbpt4' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mbpt4' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo mbpt4_e.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mbpt4' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mbpt4' Making realclean in cis make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cis' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cis' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo cis.o cis_x1.o cis_xdiagon.o cis_xtidy.o cis_xguess.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cis' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cis' Making realclean in cisd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cisd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cisd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo cisd_e.o cisd_c1.o cisd_c2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cisd' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cisd' Making realclean in cisdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cisdt' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cisdt' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo cisdt_e.o cisdt_c1.o cisdt_c2.o cisdt_c3.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cisdt' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cisdt' Making realclean in cisdtq make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cisdtq' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cisdtq' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo cisdtq_e.o cisdtq_c1.o cisdtq_c2.o cisdtq_c3.o cisdtq_c4.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cisdtq' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cisdtq' Making realclean in ccsd_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_act' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_act' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo ccsd_ea.o ccsd_t1a.o ccsd_t2a.o activity.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_act' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_act' Making realclean in eomccsd_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/eomccsd_act' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/eomccsd_act' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo eomccsd_x1a.o eomccsd_x2a.o q2na_hc1.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/eomccsd_act' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/eomccsd_act' Making realclean in cr_eomccsd_t_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cr_eomccsd_t_act' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cr_eomccsd_t_act' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo cr_ccsd_t_E_act.o cr_eomccsd_t_act.o q3rexpt2_act.o cr_ccsd_t_N_act.o creomccsd_t_n2_act_mem.o cr_eomccsd_tasim.o cr_eomt_simac.o ccsd_t_d_act.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cr_eomccsd_t_act' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cr_eomccsd_t_act' Making realclean in sort make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/sort' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/sort' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo tce_sort_4kg.o tce_sort0.o tce_sortacc0.o new_sort2.o new_sort4.o new_sort6.o tce_sort8.o tce_sortacc8.o tce_sort1.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/sort' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/sort' Making realclean in ducc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ducc' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ducc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo map_hcore.o rot_vir.o ducc.o hh.o hp.o pp.o hhhh.o pppp.o hhhp.o ppph.o hhpp.o hphp.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ducc' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ducc' Making realclean in ucc4 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ucc4' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ucc4' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo ucc4_e_new.o ucc4_t1_new.o ucc4_t2.o ucc4_t2_t2_v_t.o ucc4_t3.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ucc4' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ucc4' Making realclean in eaccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/eaccsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/eaccsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo eaccsd_x1.o eaccsd_x2.o tce_print_eax1.o tce_print_eax2.o tce_eax1_offset.o tce_eax2_offset.o tce_eom_eaxguess.o tce_jacobi_eax1.o tce_jacobi_eax2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/eaccsd' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/eaccsd' Making realclean in ipccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ipccsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ipccsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo ipccsd_x1.o ipccsd_x2.o tce_print_ipx1.o tce_print_ipx2.o tce_ipx1_offset.o tce_ipx2_offset.o tce_eom_ipxguess.o tce_jacobi_ipx1.o tce_jacobi_ipx2.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ipccsd' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ipccsd' Making realclean in ccsdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsdt' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsdt' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo ccsdt_e.o ccsdt_t1.o ccsdt_t2.o ccsdt_t3.o ccsdt_t1a.o ccsdt_t2a.o ccsdt_t3a.o ccsdt_t3_1.o ccsdt_t3_1_1.o OFFSET_ccsdt_t3_1_1.o ccsdt_t3_1_2.o ccsdt_t3_1_2_1.o OFFSET_ccsdt_t3_1_2_1.o ccsdt_t3_1_2_2.o ccsdt_t3_1_2_2_1.o OFFSET_ccsdt_t3_1_2_2_1.o ccsdt_t3_1_2_2_2.o ccsdt_t3_1_2_3.o ccsdt_t3_1_3.o ccsdt_t3_1_3_1.o OFFSET_ccsdt_t3_1_3_1.o ccsdt_t3_1_3_2.o ccsdt_t3_1_4.o ccsdt_t3_1_4_1.o OFFSET_ccsdt_t3_1_4_1.o ccsdt_t3_1_4_2.o ccsdt_t3_1_5.o ccsdt_t3_1_5_1.o OFFSET_ccsdt_t3_1_5_1.o ccsdt_t3_1_5_2.o ccsdt_t3_1_6.o ccsdt_t3_1_7.o ccsdt_t3_2.o ccsdt_t3_2_1.o OFFSET_ccsdt_t3_2_1.o ccsdt_t3_2_2.o ccsdt_t3_2_3.o ccsdt_t3_2_3_1.o OFFSET_ccsdt_t3_2_3_1.o ccsdt_t3_2_3_2.o ccsdt_t3_2_4.o ccsdt_t3_2_5.o ccsdt_t3_3.o ccsdt_t3_3_1.o OFFSET_ccsdt_t3_3_1.o ccsdt_t3_3_2.o ccsdt_t3_3_2_1.o OFFSET_ccsdt_t3_3_2_1.o ccsdt_t3_3_2_2.o ccsdt_t3_3_3.o ccsdt_t3_3_4.o ccsdt_t3_4.o ccsdt_t3_4_1.o OFFSET_ccsdt_t3_4_1.o ccsdt_t3_4_2.o ccsdt_t3_4_3.o ccsdt_t3_5.o ccsdt_t3_5_1.o OFFSET_ccsdt_t3_5_1.o ccsdt_t3_5_2.o ccsdt_t3_5_2_1.o OFFSET_ccsdt_t3_5_2_1.o ccsdt_t3_5_2_2.o ccsdt_t3_5_3.o ccsdt_t3_6.o ccsdt_t3_6_1.o OFFSET_ccsdt_t3_6_1.o ccsdt_t3_6_2.o ccsdt_t3_6_3.o ccsdt_t3_7.o ccsdt_t3_8.o ccsdt_t3_8_1.o OFFSET_ccsdt_t3_8_1.o ccsdt_t3_8_1_1.o OFFSET_ccsdt_t3_8_1_1.o ccsdt_t3_8_1_2.o ccsdt_t3_8_1_2_1.o OFFSET_ccsdt_t3_8_1_2_1.o ccsdt_t3_8_1_2_2.o ccsdt_t3_8_1_3.o ccsdt_t3_8_1_4.o ccsdt_t3_8_2.o ccsdt_t3_8_2_1.o OFFSET_ccsdt_t3_8_2_1.o ccsdt_t3_8_2_2.o ccsdt_t3_8_3.o ccsdt_t3_8_3_1.o OFFSET_ccsdt_t3_8_3_1.o ccsdt_t3_8_3_2.o ccsdt_t3_8_4.o ccsdt_t3_8_5.o ccsdt_t3_8_5_1.o OFFSET_ccsdt_t3_8_5_1.o ccsdt_t3_9.o ccsdt_t3_9_1.o OFFSET_ccsdt_t3_9_1.o ccsdt_t3a_1.o ccsdt_t3a_1_1.o OFFSET_ccsdt_t3a_1_1.o ccsdt_t3a_1_2.o ccsdt_t3a_1_2_1.o OFFSET_ccsdt_t3a_1_2_1.o ccsdt_t3a_1_2_2.o ccsdt_t3a_1_2_2_1.o OFFSET_ccsdt_t3a_1_2_2_1.o ccsdt_t3a_1_2_2_2.o ccsdt_t3a_1_2_3.o ccsdt_t3a_1_3.o ccsdt_t3a_1_3_1.o OFFSET_ccsdt_t3a_1_3_1.o ccsdt_t3a_1_3_2.o ccsdt_t3a_1_4.o ccsdt_t3a_1_4_1.o OFFSET_ccsdt_t3a_1_4_1.o ccsdt_t3a_1_4_2.o ccsdt_t3a_1_5.o ccsdt_t3a_1_5_1.o OFFSET_ccsdt_t3a_1_5_1.o ccsdt_t3a_1_5_2.o ccsdt_t3a_1_6.o ccsdt_t3a_1_7.o ccsdt_t3a_2.o ccsdt_t3a_2_1.o OFFSET_ccsdt_t3a_2_1.o ccsdt_t3a_2_2.o ccsdt_t3a_2_3.o ccsdt_t3a_2_3_1.o OFFSET_ccsdt_t3a_2_3_1.o ccsdt_t3a_2_3_2.o ccsdt_t3a_2_4.o ccsdt_t3a_2_5.o ccsdt_t3a_3.o ccsdt_t3a_3_1.o OFFSET_ccsdt_t3a_3_1.o ccsdt_t3a_3_2.o ccsdt_t3a_3_2_1.o OFFSET_ccsdt_t3a_3_2_1.o ccsdt_t3a_3_2_2.o ccsdt_t3a_3_3.o ccsdt_t3a_3_4.o ccsdt_t3a_4.o ccsdt_t3a_4_1.o OFFSET_ccsdt_t3a_4_1.o ccsdt_t3a_4_2.o ccsdt_t3a_4_3.o ccsdt_t3a_5.o ccsdt_t3a_5_1.o OFFSET_ccsdt_t3a_5_1.o ccsdt_t3a_5_2.o ccsdt_t3a_5_2_1.o OFFSET_ccsdt_t3a_5_2_1.o ccsdt_t3a_5_2_2.o ccsdt_t3a_5_3.o ccsdt_t3a_6.o ccsdt_t3a_6_1.o OFFSET_ccsdt_t3a_6_1.o ccsdt_t3a_6_2.o ccsdt_t3a_6_3.o ccsdt_t3a_7.o ccsdt_t3a_8.o ccsdt_t3a_8_1.o OFFSET_ccsdt_t3a_8_1.o ccsdt_t3a_8_1_1.o OFFSET_ccsdt_t3a_8_1_1.o ccsdt_t3a_8_1_2.o ccsdt_t3a_8_1_2_1.o OFFSET_ccsdt_t3a_8_1_2_1.o ccsdt_t3a_8_1_2_2.o ccsdt_t3a_8_1_3.o ccsdt_t3a_8_1_4.o ccsdt_t3a_8_2.o ccsdt_t3a_8_2_1.o OFFSET_ccsdt_t3a_8_2_1.o ccsdt_t3a_8_2_2.o ccsdt_t3a_8_3.o ccsdt_t3a_8_3_1.o OFFSET_ccsdt_t3a_8_3_1.o ccsdt_t3a_8_3_2.o ccsdt_t3a_8_4.o ccsdt_t3a_8_5.o ccsdt_t3a_8_5_1.o OFFSET_ccsdt_t3a_8_5_1.o ccsdt_t3a_9.o ccsdt_t3a_9_1.o OFFSET_ccsdt_t3a_9_1.o acolo.o acolo_o.o acolo_o_1p.o acolo_o_2p.o acolo_1p_2h.o acolo_2h.o acolo_1h.o acolo_1p_1h.o acolo_2p_1h.o acolo_1p.o acolo_1a_2h.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsdt' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsdt' Making realclean in ccsdt_lambda make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsdt_lambda' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsdt_lambda' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo ccsdt_lambda3.o ccsdt_density1.o ccsdt_lambda1.o ccsdt_lambda1_1.o ccsdt_lambda1_2.o ccsdt_lambda1_2_1.o OFFSET_ccsdt_lambda1_2_1.o ccsdt_lambda1_2_2.o ccsdt_lambda1_2_2_1.o OFFSET_ccsdt_lambda1_2_2_1.o ccsdt_lambda1_2_2_2.o ccsdt_lambda1_2_3.o ccsdt_lambda1_2_4.o ccsdt_lambda1_3.o ccsdt_lambda1_3_1.o OFFSET_ccsdt_lambda1_3_1.o ccsdt_lambda1_3_2.o ccsdt_lambda1_3_3.o ccsdt_lambda1_3_3_1.o OFFSET_ccsdt_lambda1_3_3_1.o ccsdt_lambda1_4.o ccsdt_lambda1_5.o ccsdt_lambda1_5_1.o OFFSET_ccsdt_lambda1_5_1.o ccsdt_lambda1_5_2.o ccsdt_lambda1_5_2_1.o OFFSET_ccsdt_lambda1_5_2_1.o ccsdt_lambda1_5_2_2.o ccsdt_lambda1_5_2_2_1.o OFFSET_ccsdt_lambda1_5_2_2_1.o ccsdt_lambda1_5_2_2_2.o ccsdt_lambda1_5_2_3.o ccsdt_lambda1_5_2_4.o ccsdt_lambda1_5_3.o ccsdt_lambda1_5_3_1.o OFFSET_ccsdt_lambda1_5_3_1.o ccsdt_lambda1_5_3_2.o ccsdt_lambda1_5_4.o ccsdt_lambda1_5_5.o ccsdt_lambda1_5_5_1.o OFFSET_ccsdt_lambda1_5_5_1.o ccsdt_lambda1_5_5_2.o ccsdt_lambda1_5_6.o ccsdt_lambda1_5_6_1.o OFFSET_ccsdt_lambda1_5_6_1.o ccsdt_lambda1_5_6_2.o ccsdt_lambda1_5_7.o ccsdt_lambda1_5_8.o ccsdt_lambda1_6.o ccsdt_lambda1_6_1.o OFFSET_ccsdt_lambda1_6_1.o ccsdt_lambda1_6_2.o ccsdt_lambda1_6_2_1.o OFFSET_ccsdt_lambda1_6_2_1.o ccsdt_lambda1_6_2_2.o ccsdt_lambda1_6_2_2_1.o OFFSET_ccsdt_lambda1_6_2_2_1.o ccsdt_lambda1_6_2_2_2.o ccsdt_lambda1_6_2_3.o ccsdt_lambda1_6_3.o ccsdt_lambda1_6_3_1.o OFFSET_ccsdt_lambda1_6_3_1.o ccsdt_lambda1_6_3_2.o ccsdt_lambda1_6_4.o ccsdt_lambda1_6_4_1.o OFFSET_ccsdt_lambda1_6_4_1.o ccsdt_lambda1_6_4_2.o ccsdt_lambda1_6_5.o ccsdt_lambda1_6_5_1.o OFFSET_ccsdt_lambda1_6_5_1.o ccsdt_lambda1_6_5_2.o ccsdt_lambda1_6_6.o ccsdt_lambda1_6_7.o ccsdt_lambda1_7.o ccsdt_lambda1_7_1.o OFFSET_ccsdt_lambda1_7_1.o ccsdt_lambda1_7_2.o ccsdt_lambda1_8.o ccsdt_lambda1_8_1.o OFFSET_ccsdt_lambda1_8_1.o ccsdt_lambda1_8_2.o ccsdt_lambda1_8_2_1.o OFFSET_ccsdt_lambda1_8_2_1.o ccsdt_lambda1_8_2_2.o ccsdt_lambda1_8_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_1.o ccsdt_lambda1_8_2_2_2.o ccsdt_lambda1_8_2_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_2_1.o ccsdt_lambda1_8_2_2_2_2.o ccsdt_lambda1_8_2_2_3.o ccsdt_lambda1_8_2_3.o ccsdt_lambda1_8_2_3_1.o OFFSET_ccsdt_lambda1_8_2_3_1.o ccsdt_lambda1_8_2_3_2.o ccsdt_lambda1_8_2_4.o ccsdt_lambda1_8_2_5.o ccsdt_lambda1_8_2_5_1.o OFFSET_ccsdt_lambda1_8_2_5_1.o ccsdt_lambda1_8_3.o ccsdt_lambda1_8_3_1.o OFFSET_ccsdt_lambda1_8_3_1.o ccsdt_lambda1_8_3_2.o ccsdt_lambda1_8_4.o ccsdt_lambda1_8_4_1.o OFFSET_ccsdt_lambda1_8_4_1.o ccsdt_lambda1_8_4_2.o ccsdt_lambda1_8_4_2_1.o OFFSET_ccsdt_lambda1_8_4_2_1.o ccsdt_lambda1_8_5.o ccsdt_lambda1_8_5_1.o OFFSET_ccsdt_lambda1_8_5_1.o ccsdt_lambda1_8_5_2.o ccsdt_lambda1_8_5_2_1.o OFFSET_ccsdt_lambda1_8_5_2_1.o ccsdt_lambda1_8_6.o ccsdt_lambda1_8_6_1.o OFFSET_ccsdt_lambda1_8_6_1.o ccsdt_lambda1_8_6_2.o ccsdt_lambda1_8_6_2_1.o OFFSET_ccsdt_lambda1_8_6_2_1.o ccsdt_lambda1_8_6_2_2.o ccsdt_lambda1_8_6_3.o ccsdt_lambda1_8_7.o ccsdt_lambda1_8_7_1.o OFFSET_ccsdt_lambda1_8_7_1.o ccsdt_lambda1_8_7_2.o ccsdt_lambda1_8_7_3.o ccsdt_lambda1_8_8.o ccsdt_lambda1_8_9.o ccsdt_lambda1_8_9_1.o OFFSET_ccsdt_lambda1_8_9_1.o ccsdt_lambda1_8_9_2.o ccsdt_lambda1_8_10.o ccsdt_lambda1_8_10_1.o OFFSET_ccsdt_lambda1_8_10_1.o ccsdt_lambda1_8_10_2.o ccsdt_lambda1_8_11.o ccsdt_lambda1_8_12.o ccsdt_lambda1_8_12_1.o OFFSET_ccsdt_lambda1_8_12_1.o ccsdt_lambda1_8_12_2.o ccsdt_lambda1_8_12_3.o ccsdt_lambda1_8_13.o ccsdt_lambda1_8_13_1.o OFFSET_ccsdt_lambda1_8_13_1.o ccsdt_lambda1_8_13_2.o ccsdt_lambda1_8_13_3.o ccsdt_lambda1_8_14.o ccsdt_lambda1_8_14_1.o OFFSET_ccsdt_lambda1_8_14_1.o ccsdt_lambda1_8_14_2.o ccsdt_lambda1_9.o ccsdt_lambda1_9_1.o OFFSET_ccsdt_lambda1_9_1.o ccsdt_lambda1_9_2.o ccsdt_lambda1_9_3.o ccsdt_lambda1_9_4.o ccsdt_lambda1_9_4_1.o OFFSET_ccsdt_lambda1_9_4_1.o ccsdt_lambda1_9_4_2.o ccsdt_lambda1_9_4_3.o ccsdt_lambda1_9_5.o ccsdt_lambda1_9_5_1.o OFFSET_ccsdt_lambda1_9_5_1.o ccsdt_lambda1_9_5_2.o ccsdt_lambda1_9_5_2_1.o OFFSET_ccsdt_lambda1_9_5_2_1.o ccsdt_lambda1_9_5_2_2.o ccsdt_lambda1_9_6.o ccsdt_lambda1_9_6_1.o OFFSET_ccsdt_lambda1_9_6_1.o ccsdt_lambda1_10.o ccsdt_lambda1_10_1.o OFFSET_ccsdt_lambda1_10_1.o ccsdt_lambda1_10_2.o ccsdt_lambda1_10_3.o ccsdt_lambda1_11.o ccsdt_lambda1_11_1.o OFFSET_ccsdt_lambda1_11_1.o ccsdt_lambda1_11_2.o ccsdt_lambda1_11_3.o ccsdt_lambda1_12.o ccsdt_lambda1_12_1.o OFFSET_ccsdt_lambda1_12_1.o ccsdt_lambda1_12_2.o ccsdt_lambda1_12_3.o ccsdt_lambda1_13.o ccsdt_lambda1_13_1.o OFFSET_ccsdt_lambda1_13_1.o ccsdt_lambda1_13_2.o ccsdt_lambda1_14.o ccsdt_lambda1_14_1.o OFFSET_ccsdt_lambda1_14_1.o ccsdt_lambda1_14_2.o ccsdt_lambda1_14_3.o ccsdt_lambda1_14_3_1.o OFFSET_ccsdt_lambda1_14_3_1.o ccsdt_lambda1_14_3_2.o ccsdt_lambda1_14_3_3.o ccsdt_lambda1_14_3_3_1.o OFFSET_ccsdt_lambda1_14_3_3_1.o ccsdt_lambda1_14_3_3_2.o ccsdt_lambda1_14_4.o ccsdt_lambda1_14_4_1.o OFFSET_ccsdt_lambda1_14_4_1.o ccsdt_lambda1_14_5.o ccsdt_lambda1_14_5_1.o OFFSET_ccsdt_lambda1_14_5_1.o ccsdt_lambda1_14_5_2.o ccsdt_lambda1_14_6.o ccsdt_lambda1_14_6_1.o OFFSET_ccsdt_lambda1_14_6_1.o ccsdt_lambda1_14_7.o ccsdt_lambda1_14_7_1.o OFFSET_ccsdt_lambda1_14_7_1.o ccsdt_lambda1_14_8.o ccsdt_lambda1_14_8_1.o OFFSET_ccsdt_lambda1_14_8_1.o ccsdt_lambda1_14_8_1_1.o OFFSET_ccsdt_lambda1_14_8_1_1.o ccsdt_lambda1_14_8_1_2.o ccsdt_lambda1_14_9.o ccsdt_lambda1_14_9_1.o OFFSET_ccsdt_lambda1_14_9_1.o ccsdt_lambda1_14_9_1_1.o OFFSET_ccsdt_lambda1_14_9_1_1.o ccsdt_lambda1_15.o ccsdt_lambda1_15_1.o OFFSET_ccsdt_lambda1_15_1.o ccsdt_lambda1_15_2.o ccsdt_lambda1_15_3.o ccsdt_lambda1_15_3_1.o OFFSET_ccsdt_lambda1_15_3_1.o ccsdt_lambda1_15_4.o ccsdt_lambda1_15_4_1.o OFFSET_ccsdt_lambda1_15_4_1.o ccsdt_lambda1_16.o ccsdt_lambda1_16_1.o OFFSET_ccsdt_lambda1_16_1.o ccsdt_lambda1_16_2.o ccsdt_lambda1_16_3.o ccsdt_lambda1_16_3_1.o OFFSET_ccsdt_lambda1_16_3_1.o ccsdt_lambda1_16_3_2.o ccsdt_lambda1_16_4.o ccsdt_lambda1_16_4_1.o OFFSET_ccsdt_lambda1_16_4_1.o ccsdt_lambda1_17.o ccsdt_lambda1_17_1.o OFFSET_ccsdt_lambda1_17_1.o ccsdt_lambda1_18.o ccsdt_lambda1_18_1.o OFFSET_ccsdt_lambda1_18_1.o ccsdt_lambda1_18_1_1.o OFFSET_ccsdt_lambda1_18_1_1.o ccsdt_lambda1_18_1_2.o ccsdt_lambda1_18_1_3.o ccsdt_lambda1_18_1_4.o ccsdt_lambda1_18_1_4_1.o OFFSET_ccsdt_lambda1_18_1_4_1.o ccsdt_lambda1_18_1_4_2.o ccsdt_lambda1_18_2.o ccsdt_lambda1_18_2_1.o OFFSET_ccsdt_lambda1_18_2_1.o ccsdt_lambda1_18_2_2.o ccsdt_lambda1_18_3.o ccsdt_lambda1_18_3_1.o OFFSET_ccsdt_lambda1_18_3_1.o ccsdt_lambda1_18_3_2.o ccsdt_lambda1_18_4.o ccsdt_lambda1_18_5.o ccsdt_lambda1_18_5_1.o OFFSET_ccsdt_lambda1_18_5_1.o ccsdt_lambda1_18_6.o ccsdt_lambda1_18_6_1.o OFFSET_ccsdt_lambda1_18_6_1.o ccsdt_lambda1_18_6_1_1.o OFFSET_ccsdt_lambda1_18_6_1_1.o ccsdt_lambda1_19.o ccsdt_lambda1_19_1.o OFFSET_ccsdt_lambda1_19_1.o ccsdt_lambda1_20.o ccsdt_lambda1_20_1.o OFFSET_ccsdt_lambda1_20_1.o ccsdt_lambda1_20_1_1.o OFFSET_ccsdt_lambda1_20_1_1.o ccsdt_lambda1_21.o ccsdt_lambda1_21_1.o OFFSET_ccsdt_lambda1_21_1.o ccsdt_lambda1_21_1_1.o OFFSET_ccsdt_lambda1_21_1_1.o ccsdt_lambda1_21_1_1_1.o OFFSET_ccsdt_lambda1_21_1_1_1.o ccsdt_lambda1_21_1_1_2.o ccsdt_lambda1_21_2.o ccsdt_lambda1_21_2_1.o OFFSET_ccsdt_lambda1_21_2_1.o ccsdt_lambda1_21_2_1_1.o OFFSET_ccsdt_lambda1_21_2_1_1.o ccsdt_lambda2.o ccsdt_lambda2_1.o ccsdt_lambda2_2.o ccsdt_lambda2_2_1.o OFFSET_ccsdt_lambda2_2_1.o ccsdt_lambda2_2_2.o ccsdt_lambda2_3.o ccsdt_lambda2_3_1.o OFFSET_ccsdt_lambda2_3_1.o ccsdt_lambda2_3_2.o ccsdt_lambda2_4.o ccsdt_lambda2_5.o ccsdt_lambda2_5_1.o OFFSET_ccsdt_lambda2_5_1.o ccsdt_lambda2_5_2.o ccsdt_lambda2_5_2_1.o OFFSET_ccsdt_lambda2_5_2_1.o ccsdt_lambda2_5_2_2.o ccsdt_lambda2_5_3.o ccsdt_lambda2_5_4.o ccsdt_lambda2_6.o ccsdt_lambda2_6_1.o OFFSET_ccsdt_lambda2_6_1.o ccsdt_lambda2_6_2.o ccsdt_lambda2_6_3.o ccsdt_lambda2_6_4.o ccsdt_lambda2_6_4_1.o OFFSET_ccsdt_lambda2_6_4_1.o ccsdt_lambda2_7.o ccsdt_lambda2_7_1.o OFFSET_ccsdt_lambda2_7_1.o ccsdt_lambda2_7_2.o ccsdt_lambda2_7_2_1.o OFFSET_ccsdt_lambda2_7_2_1.o ccsdt_lambda2_7_2_2.o ccsdt_lambda2_7_3.o ccsdt_lambda2_8.o ccsdt_lambda2_8_1.o OFFSET_ccsdt_lambda2_8_1.o ccsdt_lambda2_8_2.o ccsdt_lambda2_8_3.o ccsdt_lambda2_9.o ccsdt_lambda2_10.o ccsdt_lambda2_10_1.o OFFSET_ccsdt_lambda2_10_1.o ccsdt_lambda2_10_2.o ccsdt_lambda2_10_2_1.o OFFSET_ccsdt_lambda2_10_2_1.o ccsdt_lambda2_10_2_2.o ccsdt_lambda2_10_2_2_1.o OFFSET_ccsdt_lambda2_10_2_2_1.o ccsdt_lambda2_10_2_2_2.o ccsdt_lambda2_10_2_3.o ccsdt_lambda2_10_2_4.o ccsdt_lambda2_10_3.o ccsdt_lambda2_10_3_1.o OFFSET_ccsdt_lambda2_10_3_1.o ccsdt_lambda2_10_3_2.o ccsdt_lambda2_10_3_3.o ccsdt_lambda2_10_4.o ccsdt_lambda2_10_5.o ccsdt_lambda2_10_5_1.o OFFSET_ccsdt_lambda2_10_5_1.o ccsdt_lambda2_10_5_2.o ccsdt_lambda2_10_6.o ccsdt_lambda2_10_7.o ccsdt_lambda2_10_8.o ccsdt_lambda2_11.o ccsdt_lambda2_11_1.o OFFSET_ccsdt_lambda2_11_1.o ccsdt_lambda2_11_2.o ccsdt_lambda2_11_2_1.o OFFSET_ccsdt_lambda2_11_2_1.o ccsdt_lambda2_11_2_2.o ccsdt_lambda2_11_2_2_1.o OFFSET_ccsdt_lambda2_11_2_2_1.o ccsdt_lambda2_11_2_2_2.o ccsdt_lambda2_11_2_3.o ccsdt_lambda2_11_3.o ccsdt_lambda2_11_3_1.o OFFSET_ccsdt_lambda2_11_3_1.o ccsdt_lambda2_11_3_2.o ccsdt_lambda2_11_4.o ccsdt_lambda2_11_4_1.o OFFSET_ccsdt_lambda2_11_4_1.o ccsdt_lambda2_11_4_2.o ccsdt_lambda2_11_5.o ccsdt_lambda2_11_5_1.o OFFSET_ccsdt_lambda2_11_5_1.o ccsdt_lambda2_11_5_2.o ccsdt_lambda2_11_6.o ccsdt_lambda2_11_7.o ccsdt_lambda2_12.o ccsdt_lambda2_12_1.o OFFSET_ccsdt_lambda2_12_1.o ccsdt_lambda2_12_2.o ccsdt_lambda2_12_3.o ccsdt_lambda2_12_3_1.o OFFSET_ccsdt_lambda2_12_3_1.o ccsdt_lambda2_12_3_2.o ccsdt_lambda2_12_4.o ccsdt_lambda2_12_5.o ccsdt_lambda2_12_6.o ccsdt_lambda2_12_6_1.o OFFSET_ccsdt_lambda2_12_6_1.o ccsdt_lambda2_12_7.o ccsdt_lambda2_12_7_1.o OFFSET_ccsdt_lambda2_12_7_1.o ccsdt_lambda2_13.o ccsdt_lambda2_13_1.o OFFSET_ccsdt_lambda2_13_1.o ccsdt_lambda2_13_2.o ccsdt_lambda2_13_3.o ccsdt_lambda2_14.o ccsdt_lambda2_14_1.o OFFSET_ccsdt_lambda2_14_1.o ccsdt_lambda2_14_2.o ccsdt_lambda2_15.o ccsdt_lambda2_15_1.o OFFSET_ccsdt_lambda2_15_1.o ccsdt_lambda2_15_2.o ccsdt_lambda2_16.o ccsdt_lambda2_16_1.o OFFSET_ccsdt_lambda2_16_1.o ccsdt_lambda2_16_2.o ccsdt_lambda2_17.o ccsdt_lambda2_17_1.o OFFSET_ccsdt_lambda2_17_1.o ccsdt_lambda2_18.o ccsdt_lambda2_18_1.o OFFSET_ccsdt_lambda2_18_1.o ccsdt_lambda2_18_2.o ccsdt_lambda2_19.o ccsdt_lambda2_19_1.o OFFSET_ccsdt_lambda2_19_1.o ccsdt_lambda2_19_2.o ccsdt_lambda2_19_3.o ccsdt_lambda2_19_3_1.o OFFSET_ccsdt_lambda2_19_3_1.o ccsdt_lambda2_19_4.o ccsdt_lambda2_19_4_1.o OFFSET_ccsdt_lambda2_19_4_1.o ccsdt_lambda2_20.o ccsdt_lambda2_20_1.o OFFSET_ccsdt_lambda2_20_1.o ccsdt_lambda2_21.o ccsdt_lambda2_21_1.o OFFSET_ccsdt_lambda2_21_1.o ccsdt_lambda2_22.o ccsdt_lambda2_22_1.o OFFSET_ccsdt_lambda2_22_1.o ccsdt_lambda2_23.o ccsdt_lambda2_23_1.o OFFSET_ccsdt_lambda2_23_1.o ccsdt_lambda2_23_2.o ccsdt_lambda2_23_2_1.o OFFSET_ccsdt_lambda2_23_2_1.o ccsdt_lambda2_23_2_2.o ccsdt_lambda2_23_3.o ccsdt_lambda2_23_3_1.o OFFSET_ccsdt_lambda2_23_3_1.o ccsdt_lambda2_24.o ccsdt_lambda2_24_1.o OFFSET_ccsdt_lambda2_24_1.o ccsdt_lambda2_24_1_1.o OFFSET_ccsdt_lambda2_24_1_1.o ccsdt_lambda2_25.o ccsdt_lambda2_25_1.o OFFSET_ccsdt_lambda2_25_1.o ccsdt_lambda2_25_1_1.o OFFSET_ccsdt_lambda2_25_1_1.o ccsdt_lambda2_26.o ccsdt_lambda2_26_1.o OFFSET_ccsdt_lambda2_26_1.o ccsdt_lambda2_26_1_1.o OFFSET_ccsdt_lambda2_26_1_1.o ccsdt_lambda2_26_2.o ccsdt_lambda2_26_2_1.o OFFSET_ccsdt_lambda2_26_2_1.o ccsdt_lambda2_26_2_1_1.o OFFSET_ccsdt_lambda2_26_2_1_1.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsdt_lambda' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsdt_lambda' Making realclean in eomccsdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/eomccsdt' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/eomccsdt' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo eomccsdt_x1.o eomccsdt_x2.o eomccsdt_y3.o eomccsdt_density1.o eomccsdt_denominator.o eomccsdt_x1a.o eomccsdt_x2a.o eomccsdt_density1_1_1.o eomccsdt_density1_1_2.o eomccsdt_density1_1_3.o eomccsdt_density1_1.o eomccsdt_density1_2_1.o eomccsdt_density1_2_2_1.o eomccsdt_density1_2_2.o eomccsdt_density1_2.o eomccsdt_density1_3_1.o eomccsdt_density1_3_2.o eomccsdt_density1_3_3.o eomccsdt_density1_3_4_1.o eomccsdt_density1_3_4_2.o eomccsdt_density1_3_4_3.o eomccsdt_density1_3_4.o eomccsdt_density1_3_5_1.o eomccsdt_density1_3_5_2.o eomccsdt_density1_3_5.o eomccsdt_density1_3_6_1.o eomccsdt_density1_3_6.o eomccsdt_density1_3.o eomccsdt_density1_4_1.o eomccsdt_density1_4_2_1.o eomccsdt_density1_4_2.o eomccsdt_density1_4.o eomccsdt_density1_5_10_1.o eomccsdt_density1_5_10_2_1.o eomccsdt_density1_5_10_2_2_1.o eomccsdt_density1_5_10_2_2_2.o eomccsdt_density1_5_10_2_2.o eomccsdt_density1_5_10_2.o eomccsdt_density1_5_10_3_1.o eomccsdt_density1_5_10_3.o eomccsdt_density1_5_10.o eomccsdt_density1_5_11_1.o eomccsdt_density1_5_11.o eomccsdt_density1_5_12_1.o eomccsdt_density1_5_12.o eomccsdt_density1_5_13_1_1.o eomccsdt_density1_5_13_1.o eomccsdt_density1_5_13.o eomccsdt_density1_5_1.o eomccsdt_density1_5_2.o eomccsdt_density1_5_3_1.o eomccsdt_density1_5_3_2.o eomccsdt_density1_5_3_3.o eomccsdt_density1_5_3_4_1.o eomccsdt_density1_5_3_4_2.o eomccsdt_density1_5_3_4_3.o eomccsdt_density1_5_3_4.o eomccsdt_density1_5_3_5_1.o eomccsdt_density1_5_3_5_2.o eomccsdt_density1_5_3_5.o eomccsdt_density1_5_3_6_1.o eomccsdt_density1_5_3_6.o eomccsdt_density1_5_3.o eomccsdt_density1_5_4_1.o eomccsdt_density1_5_4_2.o eomccsdt_density1_5_4_3.o eomccsdt_density1_5_4.o eomccsdt_density1_5_5_1.o eomccsdt_density1_5_5_2.o eomccsdt_density1_5_5_3.o eomccsdt_density1_5_5.o eomccsdt_density1_5_6_1.o eomccsdt_density1_5_6_2.o eomccsdt_density1_5_6.o eomccsdt_density1_5_7_1.o eomccsdt_density1_5_7.o eomccsdt_density1_5_8_1.o eomccsdt_density1_5_8_2.o eomccsdt_density1_5_8_3.o eomccsdt_density1_5_8.o eomccsdt_density1_5_9_1.o eomccsdt_density1_5_9_2.o eomccsdt_density1_5_9.o eomccsdt_density1_5.o eomccsdt_density1_6_1.o eomccsdt_density1_6_2.o eomccsdt_density1_6_3_1.o eomccsdt_density1_6_3_2.o eomccsdt_density1_6_3.o eomccsdt_density1_6_4_1.o eomccsdt_density1_6_4_2.o eomccsdt_density1_6_4.o eomccsdt_density1_6_5_1.o eomccsdt_density1_6_5.o eomccsdt_density1_6.o eomccsdt_x2a_all12.o eomccsdt_x2a_all15.o eomccsdt_x2a_all18.o eomccsdt_x2a_all3.o eomccsdt_x2a_all6.o eomccsdt_x2a_all9.o eomccsdt_x2_all12.o eomccsdt_x2_all15.o eomccsdt_x2_all18.o eomccsdt_x2_all3.o eomccsdt_x2_all6.o eomccsdt_x2_all9.o eomccsdt_x3a_all12.o eomccsdt_x3a_all15.o eomccsdt_x3a_all17.o eomccsdt_x3a_all3.o eomccsdt_x3a_all6.o eomccsdt_x3a_all9.o eomccsdt_x3a.o eomccsdt_x3_all12.o eomccsdt_x3_all15.o eomccsdt_x3_all17.o eomccsdt_x3_all3.o eomccsdt_x3_all6.o eomccsdt_x3_all9.o eomccsdt_x3.o eomccsdt_y1_all12.o eomccsdt_y1_all15.o eomccsdt_y1_all18.o eomccsdt_y1_all20.o eomccsdt_y1_all3.o eomccsdt_y1_all6.o eomccsdt_y1_all9.o eomccsdt_y1.o eomccsdt_y2_all12.o eomccsdt_y2_all15.o eomccsdt_y2_all18.o eomccsdt_y2_all21.o eomccsdt_y2_all24.o eomccsdt_y2_all25.o eomccsdt_y2_all3.o eomccsdt_y2_all6.o eomccsdt_y2_all9.o eomccsdt_y2.o OFFSET_eomccsdt_1.o OFFSET_eomccsdt_2.o OFFSET_eomccsdt_3.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/eomccsdt' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/eomccsdt' Making realclean in ccsd_alpha make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_alpha' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_alpha' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo alpha_1_1_1.o alpha_1_1_2.o alpha_1_1_3_1.o alpha_1_1_3_2.o alpha_1_1_3.o alpha_1_1_4_1.o alpha_1_1_4_2.o alpha_1_1_4.o alpha_1_1_5_1.o alpha_1_1_5.o alpha_1_1_6_1.o alpha_1_1_6.o alpha_1_1.o alpha_1_2_1.o alpha_1_2_2.o alpha_1_2.o alpha_1_3_1.o alpha_1_3.o alpha_1_4_1.o alpha_1_4.o alpha_1.o alpha_2_1_1.o alpha_2_1.o alpha_2_2_1_1.o alpha_2_2_1_2.o alpha_2_2_1.o alpha_2_2_2_1.o alpha_2_2_2_2.o alpha_2_2_2.o alpha_2_2_3_1.o alpha_2_2_3.o alpha_2_2_4_1.o alpha_2_2_4.o alpha_2_2.o alpha_2_3_1_1.o alpha_2_3_1_2.o alpha_2_3_1_3_1.o alpha_2_3_1_3.o alpha_2_3_1_4_1.o alpha_2_3_1_4.o alpha_2_3_1.o alpha_2_3_2_1.o alpha_2_3_2_2.o alpha_2_3_2_3_1.o alpha_2_3_2_3.o alpha_2_3_2_4_1.o alpha_2_3_2_4.o alpha_2_3_2.o alpha_2_3_3_1.o alpha_2_3_3.o alpha_2_3_4_1.o alpha_2_3_4.o alpha_2_3_5_1.o alpha_2_3_5.o alpha_2_3_6_1.o alpha_2_3_6.o alpha_2_3_7_1.o alpha_2_3_7.o alpha_2_3_8_1.o alpha_2_3_8.o alpha_2_3_9_1_1.o alpha_2_3_9_1.o alpha_2_3_9_2_1.o alpha_2_3_9_2.o alpha_2_3_9.o alpha_2_3.o alpha_2_4_1_1.o alpha_2_4_1.o alpha_2_4.o alpha_2_5_10_1_1.o alpha_2_5_10_1.o alpha_2_5_10_2_1.o alpha_2_5_10_2.o alpha_2_5_10_3_1.o alpha_2_5_10_3.o alpha_2_5_10_4_1.o alpha_2_5_10_4.o alpha_2_5_10_5_1.o alpha_2_5_10_5.o alpha_2_5_10_6_1.o alpha_2_5_10_6.o alpha_2_5_10_7_1.o alpha_2_5_10_7.o alpha_2_5_10_8_1_1.o alpha_2_5_10_8_1.o alpha_2_5_10_8.o alpha_2_5_10.o alpha_2_5_11_1_1.o alpha_2_5_11_1.o alpha_2_5_1_1.o alpha_2_5_11.o alpha_2_5_12_1_1.o alpha_2_5_12_1.o alpha_2_5_1_2.o alpha_2_5_12.o alpha_2_5_13_1_1.o alpha_2_5_1_3_1.o alpha_2_5_13_1.o alpha_2_5_13_2_1.o alpha_2_5_13_2.o alpha_2_5_1_3.o alpha_2_5_13.o alpha_2_5_14_1_1.o alpha_2_5_14_1.o alpha_2_5_14_2_1.o alpha_2_5_14_2.o alpha_2_5_14.o alpha_2_5_1.o alpha_2_5_2_1.o alpha_2_5_2.o alpha_2_5_3_1.o alpha_2_5_3_2.o alpha_2_5_3.o alpha_2_5_4_1.o alpha_2_5_4_2_1.o alpha_2_5_4_2.o alpha_2_5_4.o alpha_2_5_5_1.o alpha_2_5_5_2.o alpha_2_5_5.o alpha_2_5_6_1.o alpha_2_5_6.o alpha_2_5_7_1.o alpha_2_5_7.o alpha_2_5_8_1.o alpha_2_5_8.o alpha_2_5_9_1.o alpha_2_5_9.o alpha_2_5.o alpha_2_6_1_1.o alpha_2_6_1.o alpha_2_6.o alpha_2_7_1_1.o alpha_2_7_1_2_1.o alpha_2_7_1_2.o alpha_2_7_1.o alpha_2_7_2_1.o alpha_2_7_2.o alpha_2_7_3_1.o alpha_2_7_3.o alpha_2_7_4_1.o alpha_2_7_4_2_1.o alpha_2_7_4_2.o alpha_2_7_4.o alpha_2_7_5_1.o alpha_2_7_5.o alpha_2_7_6_1.o alpha_2_7_6.o alpha_2_7_7_1_1.o alpha_2_7_7_1.o alpha_2_7_7.o alpha_2_7.o alpha_2_8_1_1.o alpha_2_8_1.o alpha_2_8_2_1.o alpha_2_8_2.o alpha_2_8_3_1.o alpha_2_8_3.o alpha_2_8_4_1_1.o alpha_2_8_4_1_2_1.o alpha_2_8_4_1_2.o alpha_2_8_4_1.o alpha_2_8_4_2_1.o alpha_2_8_4_2.o alpha_2_8_4_3_1.o alpha_2_8_4_3_2_1.o alpha_2_8_4_3_2.o alpha_2_8_4_3.o alpha_2_8_4_4_1.o alpha_2_8_4_4.o alpha_2_8_4_5_1_1.o alpha_2_8_4_5_1.o alpha_2_8_4_5.o alpha_2_8_4.o alpha_2_8_5_1_1.o alpha_2_8_5_1.o alpha_2_8_5_2_1.o alpha_2_8_5_2.o alpha_2_8_5.o alpha_2_8_6_1_1.o alpha_2_8_6_1.o alpha_2_8_6_2_1.o alpha_2_8_6_2.o alpha_2_8_6_3_1.o alpha_2_8_6_3.o alpha_2_8_6_4_1.o alpha_2_8_6_4.o alpha_2_8_6.o alpha_2_8_7_1_1.o alpha_2_8_7_1.o alpha_2_8_7.o alpha_2_8_8_1_1.o alpha_2_8_8_1.o alpha_2_8_8.o alpha_2_8.o alpha_2.o dip_r_1_1.o dip_r_1_2.o dip_r_1.o dip_r_2.o dip_r.o offset_alpha_1_1_1.o offset_alpha_1_1_3_1.o offset_alpha_1_1_4_1.o offset_alpha_1_1_5_1.o offset_alpha_1_1_6_1.o offset_alpha_1_2_1.o offset_alpha_1_3_1.o offset_alpha_1_4_1.o offset_alpha_2_1_1.o offset_alpha_2_2_1_1.o offset_alpha_2_2_1.o offset_alpha_2_2_2_1.o offset_alpha_2_2_3_1.o offset_alpha_2_2_4_1.o offset_alpha_2_3_1_1.o offset_alpha_2_3_1_3_1.o offset_alpha_2_3_1_4_1.o offset_alpha_2_3_1.o offset_alpha_2_3_2_1.o offset_alpha_2_3_2_3_1.o offset_alpha_2_3_2_4_1.o offset_alpha_2_3_3_1.o offset_alpha_2_3_4_1.o offset_alpha_2_3_5_1.o offset_alpha_2_3_6_1.o offset_alpha_2_3_7_1.o offset_alpha_2_3_8_1.o offset_alpha_2_3_9_1_1.o offset_alpha_2_3_9_1.o offset_alpha_2_3_9_2_1.o offset_alpha_2_4_1_1.o offset_alpha_2_4_1.o offset_alpha_2_5_10_1_1.o offset_alpha_2_5_10_1.o offset_alpha_2_5_10_2_1.o offset_alpha_2_5_10_3_1.o offset_alpha_2_5_10_4_1.o offset_alpha_2_5_10_5_1.o offset_alpha_2_5_10_6_1.o offset_alpha_2_5_10_7_1.o offset_alpha_2_5_10_8_1_1.o offset_alpha_2_5_10_8_1.o offset_alpha_2_5_11_1_1.o offset_alpha_2_5_11_1.o offset_alpha_2_5_1_1.o offset_alpha_2_5_12_1_1.o offset_alpha_2_5_12_1.o offset_alpha_2_5_13_1_1.o offset_alpha_2_5_1_3_1.o offset_alpha_2_5_13_1.o offset_alpha_2_5_13_2_1.o offset_alpha_2_5_14_1_1.o offset_alpha_2_5_14_1.o offset_alpha_2_5_14_2_1.o offset_alpha_2_5_1.o offset_alpha_2_5_2_1.o offset_alpha_2_5_3_1.o offset_alpha_2_5_4_1.o offset_alpha_2_5_4_2_1.o offset_alpha_2_5_5_1.o offset_alpha_2_5_6_1.o offset_alpha_2_5_7_1.o offset_alpha_2_5_8_1.o offset_alpha_2_5_9_1.o offset_alpha_2_6_1_1.o offset_alpha_2_6_1.o offset_alpha_2_7_1_1.o offset_alpha_2_7_1_2_1.o offset_alpha_2_7_1.o offset_alpha_2_7_2_1.o offset_alpha_2_7_3_1.o offset_alpha_2_7_4_1.o offset_alpha_2_7_4_2_1.o offset_alpha_2_7_5_1.o offset_alpha_2_7_6_1.o offset_alpha_2_7_7_1_1.o offset_alpha_2_7_7_1.o offset_alpha_2_8_1_1.o offset_alpha_2_8_1.o offset_alpha_2_8_2_1.o offset_alpha_2_8_3_1.o offset_alpha_2_8_4_1_1.o offset_alpha_2_8_4_1_2_1.o offset_alpha_2_8_4_1.o offset_alpha_2_8_4_2_1.o offset_alpha_2_8_4_3_1.o offset_alpha_2_8_4_3_2_1.o offset_alpha_2_8_4_4_1.o offset_alpha_2_8_4_5_1_1.o offset_alpha_2_8_4_5_1.o offset_alpha_2_8_5_1_1.o offset_alpha_2_8_5_1.o offset_alpha_2_8_5_2_1.o offset_alpha_2_8_6_1_1.o offset_alpha_2_8_6_1.o offset_alpha_2_8_6_2_1.o offset_alpha_2_8_6_3_1.o offset_alpha_2_8_6_4_1.o offset_alpha_2_8_7_1_1.o offset_alpha_2_8_7_1.o offset_alpha_2_8_8_1_1.o offset_alpha_2_8_8_1.o offset_dip_r_1_1.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_alpha' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_alpha' Making realclean in ccsd_beta make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_beta' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_beta' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo beta_1_all.o beta_2_all.o beta_3_all.o beta_4_all.o beta_all_offsets.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_beta' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_beta' Making realclean in ccsd_yr make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_yr' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_yr' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo ccsd_y_o1.o ccsd_y_o2.o ccsd_yr1.o ccsd_yr2.o ccsd_y_tr1.o ccsd_y_tr2.o alpha_2_yr.o ccsd_lr_d1_hh.o ccsd_lr_d1_ph.o ccsd_lr_d1_hp.o ccsd_lr_d1_pp.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_yr' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_yr' Making realclean in response make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/response' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/response' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo ccsd_o1.o ccsd_o2.o eomccsd_o1.o eomccsd_o2.o ccsdt_o1.o ccsdt_o2.o ccsdt_o3.o ccsdtq_o1.o ccsdtq_o2.o ccsdtq_o3.o ccsdtq_o4.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/response' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/response' Making realclean in mrcc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I./include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making realclean in include make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/include' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ rm: cannot remove '/build/reproducible-path/nwchem-7.2.2/lib/LINUX64/': Is a directory make[5]: [../../../config/makelib.h:351: realclean] Error 1 (ignored) make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/include' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/include' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/include' Making realclean in ccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/ccsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/ccsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo mr_ccsd_e.o mr_ccsd_t1.o mr_ccsd_t2.o mr_ccsd_dcl.o T2_C2_1.o T2_C2.o T2_pg_C2_1.o T2_pg_C2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/ccsd' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/ccsd' Making realclean in ccsd_sub make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/ccsd_sub' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/ccsd_sub' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo ccsd_st1.o ccsd_st2.o ccsd_se.o ccsd_dcl_sub.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/ccsd_sub' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/ccsd_sub' Making realclean in ccsd_t make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/ccsd_t' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/ccsd_t' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo tce_mrcc_q3vnt1.o tce_mrcc_q3vnt2.o tce_mrcc_q3fnt2.o tce_mrcc_ccsdpt.o tce_mrcc_ccsdpt_subg.o tce_mrcc_q3vnt1_subg.o tce_mrcc_q3fnt2_subg.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/ccsd_t' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/ccsd_t' Making realclean in uss make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/uss' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/uss' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo tce_uss_offdiagonal_1.o tce_uss_offdiagonal_2.o tce_uss_offdiagonal_3.o tce_uss_offdiagonal_4.o ccsd_r3.o ccsd_r4.o tce_uss_aux.o tce_uss_T1_R1.o tce_uss_T2_R2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/uss' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/uss' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc' Making clean in include make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/include' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/include' Making clean in ccsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/ccsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo mr_ccsd_e.o mr_ccsd_t1.o mr_ccsd_t2.o mr_ccsd_dcl.o T2_C2_1.o T2_C2.o T2_pg_C2_1.o T2_pg_C2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/ccsd' Making clean in ccsd_sub make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/ccsd_sub' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo ccsd_st1.o ccsd_st2.o ccsd_se.o ccsd_dcl_sub.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/ccsd_sub' Making clean in ccsd_t make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/ccsd_t' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo tce_mrcc_q3vnt1.o tce_mrcc_q3vnt2.o tce_mrcc_q3fnt2.o tce_mrcc_ccsdpt.o tce_mrcc_ccsdpt_subg.o tce_mrcc_q3vnt1_subg.o tce_mrcc_q3fnt2_subg.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/ccsd_t' Making clean in uss make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/uss' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo tce_uss_offdiagonal_1.o tce_uss_offdiagonal_2.o tce_uss_offdiagonal_3.o tce_uss_offdiagonal_4.o ccsd_r3.o ccsd_r4.o tce_uss_aux.o tce_uss_T1_R1.o tce_uss_T2_R2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/uss' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo tce_mrcc_input.o tce_mrcc_energy.o tce_mrcc_readref.o tce_mrcc_calcexcit.o tce_mrcc_sortint.o tce_mrcc_tile.o tce_mrcc_macpy.o tce_mrcc_fillindexarray.o tce_mrcc_uhf.o create_mr_evl_sorted.o pgcreatefile.o tce_mrcc_mo2e.o tce_mrcc_ao2e.o tce_subnxtask.o tce_mrcc_sublock.o eaf_mrcc.o tce_t3ac_offset.o tce_t4ac_offset.o tce_mrcc_refs_sym.o tce_mrcc_force_orben.o tce_mrcc_diis_init.o tce_mrcc_heff.o tce_mrcc_diis.o tce_mrcc_jacobi_t1.o tce_mrcc_jacobi_t2.o tce_mrcc_gacp.o tce_mrcc_daxfile.o tce_mrcc_diis_tidy.o tce_jacobi_sub_t1.o tce_jacobi_sub_t2.o tce_mrcc_c1.o tce_mrcc_c1_offset.o tce_mrcc_c2.o tce_mrcc_c2_offset.o tce_mrcc_mul_1.o tce_mrcc_mul_2.o tce_mrcc_diis_save.o tce_mrcc_diis_new.o tce_mrcc_create_cas1.o atpart_nalength_mrcc.o new_ga4ind_N5uhf_mrcc_lm2.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce' Making clean in include make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/include' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/include' Making clean in diis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/diis' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo tce_diis.o tce_diis_init.o tce_diis_switch.o tce_diis_tidy.o tce_jacobi_t1.o tce_jacobi_t2.o tce_jacobi_t3.o tce_jacobi_t4.o tce_jacobi_l1.o tce_jacobi_l2.o tce_jacobi_l3.o tce_jacobi_l4.o tce_jacobi_x1.o tce_jacobi_x2.o tce_jacobi_x3.o tce_jacobi_x4.o tce_jacobi_y1.o tce_jacobi_y2.o tce_jacobi_y3.o tce_jacobi_y4.o tce_jacobi_t3a.o tce_jacobi_x3a.o t2_2_y2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/diis' Making clean in diis2 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/diis2' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo tce_diis2.o tce_jacobi_tr1.o tce_jacobi_tr2.o tce_jacobi_tr3.o tce_jacobi_tr4.o tce_jacobi_lr1.o tce_jacobi_lr2.o tce_jacobi_lr3.o tce_jacobi_lr4.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/diis2' Making clean in gradients make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/gradients' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo tce_gradient.o ccsd_energy.o ccsd_left.o ccsd_gradient.o ccsd_1pdm_hh_mo.o ccsd_1pdm_pp_mo.o ccsd_1pdm_hp_mo.o ccsd_1pdm_ph_mo.o ccsd_2pdm_hhhh_mo.o ccsd_2pdm_hhhp_mo.o ccsd_2pdm_hhpp_mo.o ccsd_2pdm_hphh_mo.o ccsd_2pdm_hphp_mo.o ccsd_2pdm_hppp_mo.o ccsd_2pdm_pphh_mo.o ccsd_2pdm_pphp_mo.o ccsd_2pdm_pppp_mo.o zvec_x_a_a.o zvec_x_a_b_a.o zvec_x_a_b_b.o zvec_x_a_c_a.o zvec_x_a_c_b.o zvec_x_a_d.o zvec_x_a_e_a.o zvec_x_a_e_b.o zvec_x_a_f_a.o zvec_x_a_f_b.o zvec_x_b_a_a.o zvec_x_b_a_b.o zvec_x_b_b_a.o zvec_x_b_b_b.o zvec_x_b_c.o zvec_x_b_d_a.o zvec_x_b_d_b.o zvec_x_b_e_a.o zvec_x_b_e_b.o zvec_x_b_f.o zvec_x_c_a.o zvec_x_c_b.o ccsd_zvec.o wdm_hh_mo_a.o wdm_hh_mo_b_a_a.o wdm_hh_mo_b_a_b.o wdm_hh_mo_b_b_a.o wdm_hh_mo_b_b_b.o wdm_hh_mo_c_a.o wdm_hh_mo_c_b_a.o wdm_hh_mo_c_b_b.o wdm_hh_mo_c_c_a.o wdm_hh_mo_c_c_b.o wdm_hh_mo_c_d.o wdm_hh_mo_c_e_a.o wdm_hh_mo_c_e_b.o wdm_hh_mo_c_f_a.o wdm_hh_mo_c_f_b.o wdm_hh_mo_d.o wdm_hp_mo_a.o wdm_hp_mo_b_a_a.o wdm_hp_mo_b_a_b.o wdm_hp_mo_b_b_a.o wdm_hp_mo_b_b_b.o wdm_hp_mo_b_c.o wdm_hp_mo_b_d_a.o wdm_hp_mo_b_d_b.o wdm_hp_mo_b_e_a.o wdm_hp_mo_b_e_b.o wdm_hp_mo_b_f.o wdm_hp_mo_c.o wdm_pp_mo_a.o wdm_pp_mo_b_a_a.o wdm_pp_mo_b_a_b.o wdm_pp_mo_b_b_a.o wdm_pp_mo_b_b_b.o wdm_pp_mo_b_c.o wdm_pp_mo_b_d_a.o wdm_pp_mo_b_d_b.o wdm_pp_mo_b_e_a.o wdm_pp_mo_b_e_b.o wdm_pp_mo_b_f.o tce_grad_tidy.o tce_ccsd_1prdm.o tce_dens_hhhh_offset.o tce_dens_hhhp_offset.o tce_dens_hhpp_offset.o tce_dens_hphh_offset.o tce_dens_hphp_offset.o tce_dens_hppp_offset.o tce_dens_pphh_offset.o tce_dens_pphp_offset.o tce_dens_pppp_offset.o tce_zvec_x1_offset.o tce_2pdm_offset.o put_2pdm_hhhh.o put_2pdm_hhhp.o put_2pdm_hhpp.o put_2pdm_hphh.o put_2pdm_hphp.o put_2pdm_hppp.o put_2pdm_pphh.o put_2pdm_pphp.o put_2pdm_pppp.o tce_1pdm_offset.o put_1pdm_hh.o put_1pdm_hp.o put_1pdm_ph.o put_1pdm_ph_2.o put_1pdm_pp.o put_1pwdm_hp.o ao_tiles.o btrans1.o ao_1prdm_write.o tce_gradients_doit.o tce_grad_force.o tce_grad1.o tce_grad2.o sym_2pdm_ao.o btrans2.o eomccsd_energy.o eomccsd_left.o eomccsd_gradients.o eomccsd_1pdm_hh_mo.o eomccsd_1pdm_pp_mo.o tce_eomccsd_1prdm.o eomccsd_2pdm_hhhh_mo.o eomccsd_2pdm_hhhp_mo.o eomccsd_2pdm_hhpp_mo.o eomccsd_2pdm_hphh_mo.o eomccsd_2pdm_hphp_mo.o eomccsd_2pdm_hppp_mo.o eomccsd_2pdm_pphh_mo.o eomccsd_2pdm_pphp_mo.o eomccsd_2pdm_pppp_mo.o eomccsd_z1.o eomccsd_z2.o eomccsd_2pdm_pphh_zvec_mo.o eomccsd_1pdm_hp_mo.o eomccsd_1pdm_ph_mo.o eomccsd_x1_grad.o eomccsd_x2_grad.o tce_eom_xdiagon_grad.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/gradients' Making clean in ccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo ccsd_e.o ccsd_t1.o ccsd_t2.o cc2_t1.o cc2_t2.o ccsd_1prdm.o ccsd_1prdm_hh.o ccsd_1prdm_hp.o ccsd_1prdm_ph.o ccsd_1prdm_pp.o icsd_t1.o icsd_t2.o ccsd_kernels.o ccsd_t2_8.o tce_1b_dens_print.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd' Making clean in ccsd_lambda make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_lambda' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo ccsd_lambda1_1.o ccsd_lambda1_2.o ccsd_lambda2.o ccsd_density1.o ccsd_lambda1_mod.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_lambda' Making clean in eomccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/eomccsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo eomccsd_x1.o eomccsd_x2.o eomccsd_y1.o eomccsd_y2.o eomccsd_density1.o eomccsd_denominator.o cc2_x1.o cc2_x2.o eomccsd_1prdm.o eomccsd_1prdm_hh.o eomccsd_1prdm_hp.o eomccsd_1prdm_ph.o eomccsd_1prdm_pp.o eomccsd_x1_old.o eomccsd_x2_old.o eomicsd_x1.o eomicsd_x2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/eomccsd' Making clean in ccsd_t make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_t' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo cr_ccsd_t.o lr_ccsd_t.o ccsd_t.o ccsd_t_doubles.o ccsd_t_singles.o lambda_ccsd_t.o lambda_ccsd_t_left.o ccsd_t_doubles_l.o ccsd_t_singles_l.o ccsd2_t.o ccsd2_t_left.o ccsd2_q.o ccsd2_q_left.o ccsd2_q_right.o ccsdt2_q.o ccsdt2_q_left.o ccsdt2_q_right.o cr_ccsd_t_D.o cr_ccsd_t_E.o cr_ccsd_t_N.o lr_ccsd_tq.o cr_qcisd_t.o m2_dot_m1t1.o ccsd_t_restart.o ccsd_t_6dts.o ccsd_t_singles_l_6dts.o ccsd_t_doubles_l_6dts.o ccsd_t_dts_kernels_omp.o ccsd_t_transpose.o offl_ccsd_t_doubles_l.o ccsd_t_kernels_omp.o tce_hashnsort.o ccsd_t_pstat.o ccsd_t_dot.o ccsd_t_neword.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_t' Making clean in cr-eomccsd_t make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cr-eomccsd_t' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo c1_c1.o c2_c2.o cr_eomccsd_t.o cr_eomccsd_t_gr.o t2t12.o nr0.o c1excit2.o c2excit2.o q3rexpt2.o cr_s_m3.o cr_eomccsd_t_n2.o cr_eomccsd_t_n2_1.o cr_eomccsd_t_n2_1_1.o offset_cr_eomccsd_t_n2_1_1.o cr_eomccsd_t_n2_1_1_1.o offset_cr_eomccsd_t_n2_1_1_1.o cr_eomccsd_t_n2_1_1_2.o cr_eomccsd_t_n2_1_1_2_1.o offset_cr_eomccsd_t_n2_1_1_2_1.o cr_eomccsd_t_n2_1_1_2_2.o cr_eomccsd_t_n2_1_1_3.o cr_eomccsd_t_n2_1_2.o cr_eomccsd_t_n2_1_3.o cr_eomccsd_t_n2_1_3_1.o offset_cr_eomccsd_t_n2_1_3_1.o cr_eomccsd_t_n2_1_3_2.o cr_eomccsd_t_n2_1_3_2_1.o offset_cr_eomccsd_t_n2_1_3_2_1.o cr_eomccsd_t_n2_1_3_3.o cr_eomccsd_t_n2_1_4.o cr_eomccsd_t_n2_1_4_1.o offset_cr_eomccsd_t_n2_1_4_1.o cr_eomccsd_t_n2_1_5.o cr_eomccsd_t_n2_1_5_1.o offset_cr_eomccsd_t_n2_1_5_1.o cr_eomccsd_t_n2_1_6.o cr_eomccsd_t_n2_1_6_1.o offset_cr_eomccsd_t_n2_1_6_1.o cr_eomccsd_t_n2_1_7.o cr_eomccsd_t_n2_1_7_1.o offset_cr_eomccsd_t_n2_1_7_1.o cr_eomccsd_t_n2_1_7_2.o cr_eomccsd_t_n2_1_8.o cr_eomccsd_t_n2_1_8_1.o offset_cr_eomccsd_t_n2_1_8_1.o cr_eomccsd_t_n2_1_8_2.o cr_eomccsd_t_n2_1_9.o cr_eomccsd_t_n2_2.o cr_eomccsd_t_n2_2_1.o offset_cr_eomccsd_t_n2_2_1.o cr_eomccsd_t_n2_2_1_1.o offset_cr_eomccsd_t_n2_2_1_1.o cr_eomccsd_t_n2_2_1_2.o cr_eomccsd_t_n2_2_1_3.o cr_eomccsd_t_n2_2_1_4.o cr_eomccsd_t_n2_3.o cr_eomccsd_t_n2_3_1.o offset_cr_eomccsd_t_n2_3_1.o cr_eomccsd_t_n2_3_2.o cr_eomccsd_t_n2_3_2_1.o offset_cr_eomccsd_t_n2_3_2_1.o cr_eomccsd_t_n2_3_3.o cr_eomccsd_t_n2_3_3_1.o offset_cr_eomccsd_t_n2_3_3_1.o cr_eomccsd_t_n2_3_3_2.o cr_eomccsd_t_n2_3_4.o cr_eomccsd_t_n2_4.o cr_eomccsd_t_n2_4_1.o offset_cr_eomccsd_t_n2_4_1.o cr_eomccsd_t_n2_4_1_1.o offset_cr_eomccsd_t_n2_4_1_1.o cr_eomccsd_t_n2_4_1_2.o cr_eomccsd_t_n2_4_1_2_1.o offset_cr_eomccsd_t_n2_4_1_2_1.o cr_eomccsd_t_n2_4_1_3.o cr_eomccsd_t_n2_4_1_3_1.o offset_cr_eomccsd_t_n2_4_1_3_1.o cr_eomccsd_t_n2_4_1_4.o cr_eomccsd_t_n2_4_2.o cr_eomccsd_t_n2_4_2_1.o offset_cr_eomccsd_t_n2_4_2_1.o cr_eomccsd_t_n2_4_2_2.o cr_eomccsd_t_n2_4_2_2_1.o offset_cr_eomccsd_t_n2_4_2_2_1.o cr_eomccsd_t_n2_4_2_2_2.o cr_eomccsd_t_n2_4_2_3.o cr_eomccsd_t_n2_4_2_4.o cr_eomccsd_t_n2_5.o cr_eomccsd_t_n2_5_1.o offset_cr_eomccsd_t_n2_5_1.o cr_eomccsd_t_n2_5_2.o cr_eomccsd_t_n2_5_2_1.o offset_cr_eomccsd_t_n2_5_2_1.o cr_eomccsd_t_n2_5_2_2.o cr_eomccsd_t_n2_5_2_2_1.o offset_cr_eomccsd_t_n2_5_2_2_1.o cr_eomccsd_t_n2_5_2_2_2.o cr_eomccsd_t_n2_5_2_3.o cr_eomccsd_t_n2_5_3.o cr_eomccsd_t_n2_5_3_1.o offset_cr_eomccsd_t_n2_5_3_1.o cr_eomccsd_t_n2_5_3_2.o cr_eomccsd_t_n2_5_4.o cr_eomccsd_t_n2_5_4_1.o offset_cr_eomccsd_t_n2_5_4_1.o cr_eomccsd_t_n2_5_4_2.o cr_eomccsd_t_n2_5_5.o cr_eomccsd_t_n2_5_5_1.o offset_cr_eomccsd_t_n2_5_5_1.o cr_eomccsd_t_n2_5_5_2.o cr_eomccsd_t_n2_5_6.o cr_eomccsd_t_n2_6.o cr_eomccsd_t_n2_6_1.o offset_cr_eomccsd_t_n2_6_1.o cr_eomccsd_t_n2_6_2.o cr_eomccsd_t_n2_6_3.o cr_eomccsd_t_n2_6_3_1.o offset_cr_eomccsd_t_n2_6_3_1.o cr_eomccsd_t_n2_6_3_2.o cr_eomccsd_t_n2_6_4.o creomccsd_t_n2_mem.o q3rexpt2_6dts.o creomccsd_t_n2_mem_6dts.o cr_eomccsd_t_6dts.o cr_ccsd_t_N_6dts.o cr_ccsd_t_E_6dts.o cr_eomccsd_t_6dts_d4d5_parallel.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cr-eomccsd_t' Making clean in lrh make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/lrh' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo tce_loc_j1.o tce_loc_j2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/lrh' Making clean in emb make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/emb' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo c1v.o c2vt1_s.o emb1.o emb2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/emb' Making clean in ccd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo ccd_e.o ccd_t2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccd' Making clean in lccd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/lccd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo lccd_e.o lccd_t2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/lccd' Making clean in lccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/lccsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo lccsd_e.o lccsd_t1.o lccsd_t2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/lccsd' Making clean in qcisd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/qcisd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo qcisd_e.o qcisd_t1.o qcisd_t2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/qcisd' Making clean in cc3 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cc3' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo cc3_t3.o ccsdt1b_t3.o ccsdt2_t3.o ccsdt3_t3.o eomccsdt1_x3.o eomcc3_x3.o eomccsdt3_x3.o cc3_lambda3.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cc3' Making clean in mbpt1 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mbpt1' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo mbpt1_t1.o mbpt1_t2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mbpt1' Making clean in mbpt2 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mbpt2' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo mbpt2_e.o mbpt2_t1.o mbpt2_t2.o mbpt2_t2_b.o mbpt2_t3.o mbpt2_t1_sd.o mbpt2_t2_sd.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mbpt2' Making clean in mbpt3 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mbpt3' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo mbpt3_e.o mbpt3_t1.o mbpt3_t2.o mbpt3_t1_sd.o mbpt3_t2_sd.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mbpt3' Making clean in mbpt4 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mbpt4' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo mbpt4_e.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mbpt4' Making clean in cis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cis' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo cis.o cis_x1.o cis_xdiagon.o cis_xtidy.o cis_xguess.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cis' Making clean in cisd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cisd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo cisd_e.o cisd_c1.o cisd_c2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cisd' Making clean in cisdt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cisdt' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo cisdt_e.o cisdt_c1.o cisdt_c2.o cisdt_c3.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cisdt' Making clean in cisdtq make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cisdtq' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo cisdtq_e.o cisdtq_c1.o cisdtq_c2.o cisdtq_c3.o cisdtq_c4.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cisdtq' Making clean in ccsd_act make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_act' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo ccsd_ea.o ccsd_t1a.o ccsd_t2a.o activity.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_act' Making clean in eomccsd_act make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/eomccsd_act' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo eomccsd_x1a.o eomccsd_x2a.o q2na_hc1.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/eomccsd_act' Making clean in cr_eomccsd_t_act make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cr_eomccsd_t_act' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo cr_ccsd_t_E_act.o cr_eomccsd_t_act.o q3rexpt2_act.o cr_ccsd_t_N_act.o creomccsd_t_n2_act_mem.o cr_eomccsd_tasim.o cr_eomt_simac.o ccsd_t_d_act.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/cr_eomccsd_t_act' Making clean in sort make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/sort' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo tce_sort_4kg.o tce_sort0.o tce_sortacc0.o new_sort2.o new_sort4.o new_sort6.o tce_sort8.o tce_sortacc8.o tce_sort1.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/sort' Making clean in ducc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ducc' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo map_hcore.o rot_vir.o ducc.o hh.o hp.o pp.o hhhh.o pppp.o hhhp.o ppph.o hhpp.o hphp.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ducc' Making clean in ucc4 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ucc4' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo ucc4_e_new.o ucc4_t1_new.o ucc4_t2.o ucc4_t2_t2_v_t.o ucc4_t3.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ucc4' Making clean in eaccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/eaccsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo eaccsd_x1.o eaccsd_x2.o tce_print_eax1.o tce_print_eax2.o tce_eax1_offset.o tce_eax2_offset.o tce_eom_eaxguess.o tce_jacobi_eax1.o tce_jacobi_eax2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/eaccsd' Making clean in ipccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ipccsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo ipccsd_x1.o ipccsd_x2.o tce_print_ipx1.o tce_print_ipx2.o tce_ipx1_offset.o tce_ipx2_offset.o tce_eom_ipxguess.o tce_jacobi_ipx1.o tce_jacobi_ipx2.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ipccsd' Making clean in ccsdt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsdt' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo ccsdt_e.o ccsdt_t1.o ccsdt_t2.o ccsdt_t3.o ccsdt_t1a.o ccsdt_t2a.o ccsdt_t3a.o ccsdt_t3_1.o ccsdt_t3_1_1.o OFFSET_ccsdt_t3_1_1.o ccsdt_t3_1_2.o ccsdt_t3_1_2_1.o OFFSET_ccsdt_t3_1_2_1.o ccsdt_t3_1_2_2.o ccsdt_t3_1_2_2_1.o OFFSET_ccsdt_t3_1_2_2_1.o ccsdt_t3_1_2_2_2.o ccsdt_t3_1_2_3.o ccsdt_t3_1_3.o ccsdt_t3_1_3_1.o OFFSET_ccsdt_t3_1_3_1.o ccsdt_t3_1_3_2.o ccsdt_t3_1_4.o ccsdt_t3_1_4_1.o OFFSET_ccsdt_t3_1_4_1.o ccsdt_t3_1_4_2.o ccsdt_t3_1_5.o ccsdt_t3_1_5_1.o OFFSET_ccsdt_t3_1_5_1.o ccsdt_t3_1_5_2.o ccsdt_t3_1_6.o ccsdt_t3_1_7.o ccsdt_t3_2.o ccsdt_t3_2_1.o OFFSET_ccsdt_t3_2_1.o ccsdt_t3_2_2.o ccsdt_t3_2_3.o ccsdt_t3_2_3_1.o OFFSET_ccsdt_t3_2_3_1.o ccsdt_t3_2_3_2.o ccsdt_t3_2_4.o ccsdt_t3_2_5.o ccsdt_t3_3.o ccsdt_t3_3_1.o OFFSET_ccsdt_t3_3_1.o ccsdt_t3_3_2.o ccsdt_t3_3_2_1.o OFFSET_ccsdt_t3_3_2_1.o ccsdt_t3_3_2_2.o ccsdt_t3_3_3.o ccsdt_t3_3_4.o ccsdt_t3_4.o ccsdt_t3_4_1.o OFFSET_ccsdt_t3_4_1.o ccsdt_t3_4_2.o ccsdt_t3_4_3.o ccsdt_t3_5.o ccsdt_t3_5_1.o OFFSET_ccsdt_t3_5_1.o ccsdt_t3_5_2.o ccsdt_t3_5_2_1.o OFFSET_ccsdt_t3_5_2_1.o ccsdt_t3_5_2_2.o ccsdt_t3_5_3.o ccsdt_t3_6.o ccsdt_t3_6_1.o OFFSET_ccsdt_t3_6_1.o ccsdt_t3_6_2.o ccsdt_t3_6_3.o ccsdt_t3_7.o ccsdt_t3_8.o ccsdt_t3_8_1.o OFFSET_ccsdt_t3_8_1.o ccsdt_t3_8_1_1.o OFFSET_ccsdt_t3_8_1_1.o ccsdt_t3_8_1_2.o ccsdt_t3_8_1_2_1.o OFFSET_ccsdt_t3_8_1_2_1.o ccsdt_t3_8_1_2_2.o ccsdt_t3_8_1_3.o ccsdt_t3_8_1_4.o ccsdt_t3_8_2.o ccsdt_t3_8_2_1.o OFFSET_ccsdt_t3_8_2_1.o ccsdt_t3_8_2_2.o ccsdt_t3_8_3.o ccsdt_t3_8_3_1.o OFFSET_ccsdt_t3_8_3_1.o ccsdt_t3_8_3_2.o ccsdt_t3_8_4.o ccsdt_t3_8_5.o ccsdt_t3_8_5_1.o OFFSET_ccsdt_t3_8_5_1.o ccsdt_t3_9.o ccsdt_t3_9_1.o OFFSET_ccsdt_t3_9_1.o ccsdt_t3a_1.o ccsdt_t3a_1_1.o OFFSET_ccsdt_t3a_1_1.o ccsdt_t3a_1_2.o ccsdt_t3a_1_2_1.o OFFSET_ccsdt_t3a_1_2_1.o ccsdt_t3a_1_2_2.o ccsdt_t3a_1_2_2_1.o OFFSET_ccsdt_t3a_1_2_2_1.o ccsdt_t3a_1_2_2_2.o ccsdt_t3a_1_2_3.o ccsdt_t3a_1_3.o ccsdt_t3a_1_3_1.o OFFSET_ccsdt_t3a_1_3_1.o ccsdt_t3a_1_3_2.o ccsdt_t3a_1_4.o ccsdt_t3a_1_4_1.o OFFSET_ccsdt_t3a_1_4_1.o ccsdt_t3a_1_4_2.o ccsdt_t3a_1_5.o ccsdt_t3a_1_5_1.o OFFSET_ccsdt_t3a_1_5_1.o ccsdt_t3a_1_5_2.o ccsdt_t3a_1_6.o ccsdt_t3a_1_7.o ccsdt_t3a_2.o ccsdt_t3a_2_1.o OFFSET_ccsdt_t3a_2_1.o ccsdt_t3a_2_2.o ccsdt_t3a_2_3.o ccsdt_t3a_2_3_1.o OFFSET_ccsdt_t3a_2_3_1.o ccsdt_t3a_2_3_2.o ccsdt_t3a_2_4.o ccsdt_t3a_2_5.o ccsdt_t3a_3.o ccsdt_t3a_3_1.o OFFSET_ccsdt_t3a_3_1.o ccsdt_t3a_3_2.o ccsdt_t3a_3_2_1.o OFFSET_ccsdt_t3a_3_2_1.o ccsdt_t3a_3_2_2.o ccsdt_t3a_3_3.o ccsdt_t3a_3_4.o ccsdt_t3a_4.o ccsdt_t3a_4_1.o OFFSET_ccsdt_t3a_4_1.o ccsdt_t3a_4_2.o ccsdt_t3a_4_3.o ccsdt_t3a_5.o ccsdt_t3a_5_1.o OFFSET_ccsdt_t3a_5_1.o ccsdt_t3a_5_2.o ccsdt_t3a_5_2_1.o OFFSET_ccsdt_t3a_5_2_1.o ccsdt_t3a_5_2_2.o ccsdt_t3a_5_3.o ccsdt_t3a_6.o ccsdt_t3a_6_1.o OFFSET_ccsdt_t3a_6_1.o ccsdt_t3a_6_2.o ccsdt_t3a_6_3.o ccsdt_t3a_7.o ccsdt_t3a_8.o ccsdt_t3a_8_1.o OFFSET_ccsdt_t3a_8_1.o ccsdt_t3a_8_1_1.o OFFSET_ccsdt_t3a_8_1_1.o ccsdt_t3a_8_1_2.o ccsdt_t3a_8_1_2_1.o OFFSET_ccsdt_t3a_8_1_2_1.o ccsdt_t3a_8_1_2_2.o ccsdt_t3a_8_1_3.o ccsdt_t3a_8_1_4.o ccsdt_t3a_8_2.o ccsdt_t3a_8_2_1.o OFFSET_ccsdt_t3a_8_2_1.o ccsdt_t3a_8_2_2.o ccsdt_t3a_8_3.o ccsdt_t3a_8_3_1.o OFFSET_ccsdt_t3a_8_3_1.o ccsdt_t3a_8_3_2.o ccsdt_t3a_8_4.o ccsdt_t3a_8_5.o ccsdt_t3a_8_5_1.o OFFSET_ccsdt_t3a_8_5_1.o ccsdt_t3a_9.o ccsdt_t3a_9_1.o OFFSET_ccsdt_t3a_9_1.o acolo.o acolo_o.o acolo_o_1p.o acolo_o_2p.o acolo_1p_2h.o acolo_2h.o acolo_1h.o acolo_1p_1h.o acolo_2p_1h.o acolo_1p.o acolo_1a_2h.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsdt' Making clean in ccsdt_lambda make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsdt_lambda' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo ccsdt_lambda3.o ccsdt_density1.o ccsdt_lambda1.o ccsdt_lambda1_1.o ccsdt_lambda1_2.o ccsdt_lambda1_2_1.o OFFSET_ccsdt_lambda1_2_1.o ccsdt_lambda1_2_2.o ccsdt_lambda1_2_2_1.o OFFSET_ccsdt_lambda1_2_2_1.o ccsdt_lambda1_2_2_2.o ccsdt_lambda1_2_3.o ccsdt_lambda1_2_4.o ccsdt_lambda1_3.o ccsdt_lambda1_3_1.o OFFSET_ccsdt_lambda1_3_1.o ccsdt_lambda1_3_2.o ccsdt_lambda1_3_3.o ccsdt_lambda1_3_3_1.o OFFSET_ccsdt_lambda1_3_3_1.o ccsdt_lambda1_4.o ccsdt_lambda1_5.o ccsdt_lambda1_5_1.o OFFSET_ccsdt_lambda1_5_1.o ccsdt_lambda1_5_2.o ccsdt_lambda1_5_2_1.o OFFSET_ccsdt_lambda1_5_2_1.o ccsdt_lambda1_5_2_2.o ccsdt_lambda1_5_2_2_1.o OFFSET_ccsdt_lambda1_5_2_2_1.o ccsdt_lambda1_5_2_2_2.o ccsdt_lambda1_5_2_3.o ccsdt_lambda1_5_2_4.o ccsdt_lambda1_5_3.o ccsdt_lambda1_5_3_1.o OFFSET_ccsdt_lambda1_5_3_1.o ccsdt_lambda1_5_3_2.o ccsdt_lambda1_5_4.o ccsdt_lambda1_5_5.o ccsdt_lambda1_5_5_1.o OFFSET_ccsdt_lambda1_5_5_1.o ccsdt_lambda1_5_5_2.o ccsdt_lambda1_5_6.o ccsdt_lambda1_5_6_1.o OFFSET_ccsdt_lambda1_5_6_1.o ccsdt_lambda1_5_6_2.o ccsdt_lambda1_5_7.o ccsdt_lambda1_5_8.o ccsdt_lambda1_6.o ccsdt_lambda1_6_1.o OFFSET_ccsdt_lambda1_6_1.o ccsdt_lambda1_6_2.o ccsdt_lambda1_6_2_1.o OFFSET_ccsdt_lambda1_6_2_1.o ccsdt_lambda1_6_2_2.o ccsdt_lambda1_6_2_2_1.o OFFSET_ccsdt_lambda1_6_2_2_1.o ccsdt_lambda1_6_2_2_2.o ccsdt_lambda1_6_2_3.o ccsdt_lambda1_6_3.o ccsdt_lambda1_6_3_1.o OFFSET_ccsdt_lambda1_6_3_1.o ccsdt_lambda1_6_3_2.o ccsdt_lambda1_6_4.o ccsdt_lambda1_6_4_1.o OFFSET_ccsdt_lambda1_6_4_1.o ccsdt_lambda1_6_4_2.o ccsdt_lambda1_6_5.o ccsdt_lambda1_6_5_1.o OFFSET_ccsdt_lambda1_6_5_1.o ccsdt_lambda1_6_5_2.o ccsdt_lambda1_6_6.o ccsdt_lambda1_6_7.o ccsdt_lambda1_7.o ccsdt_lambda1_7_1.o OFFSET_ccsdt_lambda1_7_1.o ccsdt_lambda1_7_2.o ccsdt_lambda1_8.o ccsdt_lambda1_8_1.o OFFSET_ccsdt_lambda1_8_1.o ccsdt_lambda1_8_2.o ccsdt_lambda1_8_2_1.o OFFSET_ccsdt_lambda1_8_2_1.o ccsdt_lambda1_8_2_2.o ccsdt_lambda1_8_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_1.o ccsdt_lambda1_8_2_2_2.o ccsdt_lambda1_8_2_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_2_1.o ccsdt_lambda1_8_2_2_2_2.o ccsdt_lambda1_8_2_2_3.o ccsdt_lambda1_8_2_3.o ccsdt_lambda1_8_2_3_1.o OFFSET_ccsdt_lambda1_8_2_3_1.o ccsdt_lambda1_8_2_3_2.o ccsdt_lambda1_8_2_4.o ccsdt_lambda1_8_2_5.o ccsdt_lambda1_8_2_5_1.o OFFSET_ccsdt_lambda1_8_2_5_1.o ccsdt_lambda1_8_3.o ccsdt_lambda1_8_3_1.o OFFSET_ccsdt_lambda1_8_3_1.o ccsdt_lambda1_8_3_2.o ccsdt_lambda1_8_4.o ccsdt_lambda1_8_4_1.o OFFSET_ccsdt_lambda1_8_4_1.o ccsdt_lambda1_8_4_2.o ccsdt_lambda1_8_4_2_1.o OFFSET_ccsdt_lambda1_8_4_2_1.o ccsdt_lambda1_8_5.o ccsdt_lambda1_8_5_1.o OFFSET_ccsdt_lambda1_8_5_1.o ccsdt_lambda1_8_5_2.o ccsdt_lambda1_8_5_2_1.o OFFSET_ccsdt_lambda1_8_5_2_1.o ccsdt_lambda1_8_6.o ccsdt_lambda1_8_6_1.o OFFSET_ccsdt_lambda1_8_6_1.o ccsdt_lambda1_8_6_2.o ccsdt_lambda1_8_6_2_1.o OFFSET_ccsdt_lambda1_8_6_2_1.o ccsdt_lambda1_8_6_2_2.o ccsdt_lambda1_8_6_3.o ccsdt_lambda1_8_7.o ccsdt_lambda1_8_7_1.o OFFSET_ccsdt_lambda1_8_7_1.o ccsdt_lambda1_8_7_2.o ccsdt_lambda1_8_7_3.o ccsdt_lambda1_8_8.o ccsdt_lambda1_8_9.o ccsdt_lambda1_8_9_1.o OFFSET_ccsdt_lambda1_8_9_1.o ccsdt_lambda1_8_9_2.o ccsdt_lambda1_8_10.o ccsdt_lambda1_8_10_1.o OFFSET_ccsdt_lambda1_8_10_1.o ccsdt_lambda1_8_10_2.o ccsdt_lambda1_8_11.o ccsdt_lambda1_8_12.o ccsdt_lambda1_8_12_1.o OFFSET_ccsdt_lambda1_8_12_1.o ccsdt_lambda1_8_12_2.o ccsdt_lambda1_8_12_3.o ccsdt_lambda1_8_13.o ccsdt_lambda1_8_13_1.o OFFSET_ccsdt_lambda1_8_13_1.o ccsdt_lambda1_8_13_2.o ccsdt_lambda1_8_13_3.o ccsdt_lambda1_8_14.o ccsdt_lambda1_8_14_1.o OFFSET_ccsdt_lambda1_8_14_1.o ccsdt_lambda1_8_14_2.o ccsdt_lambda1_9.o ccsdt_lambda1_9_1.o OFFSET_ccsdt_lambda1_9_1.o ccsdt_lambda1_9_2.o ccsdt_lambda1_9_3.o ccsdt_lambda1_9_4.o ccsdt_lambda1_9_4_1.o OFFSET_ccsdt_lambda1_9_4_1.o ccsdt_lambda1_9_4_2.o ccsdt_lambda1_9_4_3.o ccsdt_lambda1_9_5.o ccsdt_lambda1_9_5_1.o OFFSET_ccsdt_lambda1_9_5_1.o ccsdt_lambda1_9_5_2.o ccsdt_lambda1_9_5_2_1.o OFFSET_ccsdt_lambda1_9_5_2_1.o ccsdt_lambda1_9_5_2_2.o ccsdt_lambda1_9_6.o ccsdt_lambda1_9_6_1.o OFFSET_ccsdt_lambda1_9_6_1.o ccsdt_lambda1_10.o ccsdt_lambda1_10_1.o OFFSET_ccsdt_lambda1_10_1.o ccsdt_lambda1_10_2.o ccsdt_lambda1_10_3.o ccsdt_lambda1_11.o ccsdt_lambda1_11_1.o OFFSET_ccsdt_lambda1_11_1.o ccsdt_lambda1_11_2.o ccsdt_lambda1_11_3.o ccsdt_lambda1_12.o ccsdt_lambda1_12_1.o OFFSET_ccsdt_lambda1_12_1.o ccsdt_lambda1_12_2.o ccsdt_lambda1_12_3.o ccsdt_lambda1_13.o ccsdt_lambda1_13_1.o OFFSET_ccsdt_lambda1_13_1.o ccsdt_lambda1_13_2.o ccsdt_lambda1_14.o ccsdt_lambda1_14_1.o OFFSET_ccsdt_lambda1_14_1.o ccsdt_lambda1_14_2.o ccsdt_lambda1_14_3.o ccsdt_lambda1_14_3_1.o OFFSET_ccsdt_lambda1_14_3_1.o ccsdt_lambda1_14_3_2.o ccsdt_lambda1_14_3_3.o ccsdt_lambda1_14_3_3_1.o OFFSET_ccsdt_lambda1_14_3_3_1.o ccsdt_lambda1_14_3_3_2.o ccsdt_lambda1_14_4.o ccsdt_lambda1_14_4_1.o OFFSET_ccsdt_lambda1_14_4_1.o ccsdt_lambda1_14_5.o ccsdt_lambda1_14_5_1.o OFFSET_ccsdt_lambda1_14_5_1.o ccsdt_lambda1_14_5_2.o ccsdt_lambda1_14_6.o ccsdt_lambda1_14_6_1.o OFFSET_ccsdt_lambda1_14_6_1.o ccsdt_lambda1_14_7.o ccsdt_lambda1_14_7_1.o OFFSET_ccsdt_lambda1_14_7_1.o ccsdt_lambda1_14_8.o ccsdt_lambda1_14_8_1.o OFFSET_ccsdt_lambda1_14_8_1.o ccsdt_lambda1_14_8_1_1.o OFFSET_ccsdt_lambda1_14_8_1_1.o ccsdt_lambda1_14_8_1_2.o ccsdt_lambda1_14_9.o ccsdt_lambda1_14_9_1.o OFFSET_ccsdt_lambda1_14_9_1.o ccsdt_lambda1_14_9_1_1.o OFFSET_ccsdt_lambda1_14_9_1_1.o ccsdt_lambda1_15.o ccsdt_lambda1_15_1.o OFFSET_ccsdt_lambda1_15_1.o ccsdt_lambda1_15_2.o ccsdt_lambda1_15_3.o ccsdt_lambda1_15_3_1.o OFFSET_ccsdt_lambda1_15_3_1.o ccsdt_lambda1_15_4.o ccsdt_lambda1_15_4_1.o OFFSET_ccsdt_lambda1_15_4_1.o ccsdt_lambda1_16.o ccsdt_lambda1_16_1.o OFFSET_ccsdt_lambda1_16_1.o ccsdt_lambda1_16_2.o ccsdt_lambda1_16_3.o ccsdt_lambda1_16_3_1.o OFFSET_ccsdt_lambda1_16_3_1.o ccsdt_lambda1_16_3_2.o ccsdt_lambda1_16_4.o ccsdt_lambda1_16_4_1.o OFFSET_ccsdt_lambda1_16_4_1.o ccsdt_lambda1_17.o ccsdt_lambda1_17_1.o OFFSET_ccsdt_lambda1_17_1.o ccsdt_lambda1_18.o ccsdt_lambda1_18_1.o OFFSET_ccsdt_lambda1_18_1.o ccsdt_lambda1_18_1_1.o OFFSET_ccsdt_lambda1_18_1_1.o ccsdt_lambda1_18_1_2.o ccsdt_lambda1_18_1_3.o ccsdt_lambda1_18_1_4.o ccsdt_lambda1_18_1_4_1.o OFFSET_ccsdt_lambda1_18_1_4_1.o ccsdt_lambda1_18_1_4_2.o ccsdt_lambda1_18_2.o ccsdt_lambda1_18_2_1.o OFFSET_ccsdt_lambda1_18_2_1.o ccsdt_lambda1_18_2_2.o ccsdt_lambda1_18_3.o ccsdt_lambda1_18_3_1.o OFFSET_ccsdt_lambda1_18_3_1.o ccsdt_lambda1_18_3_2.o ccsdt_lambda1_18_4.o ccsdt_lambda1_18_5.o ccsdt_lambda1_18_5_1.o OFFSET_ccsdt_lambda1_18_5_1.o ccsdt_lambda1_18_6.o ccsdt_lambda1_18_6_1.o OFFSET_ccsdt_lambda1_18_6_1.o ccsdt_lambda1_18_6_1_1.o OFFSET_ccsdt_lambda1_18_6_1_1.o ccsdt_lambda1_19.o ccsdt_lambda1_19_1.o OFFSET_ccsdt_lambda1_19_1.o ccsdt_lambda1_20.o ccsdt_lambda1_20_1.o OFFSET_ccsdt_lambda1_20_1.o ccsdt_lambda1_20_1_1.o OFFSET_ccsdt_lambda1_20_1_1.o ccsdt_lambda1_21.o ccsdt_lambda1_21_1.o OFFSET_ccsdt_lambda1_21_1.o ccsdt_lambda1_21_1_1.o OFFSET_ccsdt_lambda1_21_1_1.o ccsdt_lambda1_21_1_1_1.o OFFSET_ccsdt_lambda1_21_1_1_1.o ccsdt_lambda1_21_1_1_2.o ccsdt_lambda1_21_2.o ccsdt_lambda1_21_2_1.o OFFSET_ccsdt_lambda1_21_2_1.o ccsdt_lambda1_21_2_1_1.o OFFSET_ccsdt_lambda1_21_2_1_1.o ccsdt_lambda2.o ccsdt_lambda2_1.o ccsdt_lambda2_2.o ccsdt_lambda2_2_1.o OFFSET_ccsdt_lambda2_2_1.o ccsdt_lambda2_2_2.o ccsdt_lambda2_3.o ccsdt_lambda2_3_1.o OFFSET_ccsdt_lambda2_3_1.o ccsdt_lambda2_3_2.o ccsdt_lambda2_4.o ccsdt_lambda2_5.o ccsdt_lambda2_5_1.o OFFSET_ccsdt_lambda2_5_1.o ccsdt_lambda2_5_2.o ccsdt_lambda2_5_2_1.o OFFSET_ccsdt_lambda2_5_2_1.o ccsdt_lambda2_5_2_2.o ccsdt_lambda2_5_3.o ccsdt_lambda2_5_4.o ccsdt_lambda2_6.o ccsdt_lambda2_6_1.o OFFSET_ccsdt_lambda2_6_1.o ccsdt_lambda2_6_2.o ccsdt_lambda2_6_3.o ccsdt_lambda2_6_4.o ccsdt_lambda2_6_4_1.o OFFSET_ccsdt_lambda2_6_4_1.o ccsdt_lambda2_7.o ccsdt_lambda2_7_1.o OFFSET_ccsdt_lambda2_7_1.o ccsdt_lambda2_7_2.o ccsdt_lambda2_7_2_1.o OFFSET_ccsdt_lambda2_7_2_1.o ccsdt_lambda2_7_2_2.o ccsdt_lambda2_7_3.o ccsdt_lambda2_8.o ccsdt_lambda2_8_1.o OFFSET_ccsdt_lambda2_8_1.o ccsdt_lambda2_8_2.o ccsdt_lambda2_8_3.o ccsdt_lambda2_9.o ccsdt_lambda2_10.o ccsdt_lambda2_10_1.o OFFSET_ccsdt_lambda2_10_1.o ccsdt_lambda2_10_2.o ccsdt_lambda2_10_2_1.o OFFSET_ccsdt_lambda2_10_2_1.o ccsdt_lambda2_10_2_2.o ccsdt_lambda2_10_2_2_1.o OFFSET_ccsdt_lambda2_10_2_2_1.o ccsdt_lambda2_10_2_2_2.o ccsdt_lambda2_10_2_3.o ccsdt_lambda2_10_2_4.o ccsdt_lambda2_10_3.o ccsdt_lambda2_10_3_1.o OFFSET_ccsdt_lambda2_10_3_1.o ccsdt_lambda2_10_3_2.o ccsdt_lambda2_10_3_3.o ccsdt_lambda2_10_4.o ccsdt_lambda2_10_5.o ccsdt_lambda2_10_5_1.o OFFSET_ccsdt_lambda2_10_5_1.o ccsdt_lambda2_10_5_2.o ccsdt_lambda2_10_6.o ccsdt_lambda2_10_7.o ccsdt_lambda2_10_8.o ccsdt_lambda2_11.o ccsdt_lambda2_11_1.o OFFSET_ccsdt_lambda2_11_1.o ccsdt_lambda2_11_2.o ccsdt_lambda2_11_2_1.o OFFSET_ccsdt_lambda2_11_2_1.o ccsdt_lambda2_11_2_2.o ccsdt_lambda2_11_2_2_1.o OFFSET_ccsdt_lambda2_11_2_2_1.o ccsdt_lambda2_11_2_2_2.o ccsdt_lambda2_11_2_3.o ccsdt_lambda2_11_3.o ccsdt_lambda2_11_3_1.o OFFSET_ccsdt_lambda2_11_3_1.o ccsdt_lambda2_11_3_2.o ccsdt_lambda2_11_4.o ccsdt_lambda2_11_4_1.o OFFSET_ccsdt_lambda2_11_4_1.o ccsdt_lambda2_11_4_2.o ccsdt_lambda2_11_5.o ccsdt_lambda2_11_5_1.o OFFSET_ccsdt_lambda2_11_5_1.o ccsdt_lambda2_11_5_2.o ccsdt_lambda2_11_6.o ccsdt_lambda2_11_7.o ccsdt_lambda2_12.o ccsdt_lambda2_12_1.o OFFSET_ccsdt_lambda2_12_1.o ccsdt_lambda2_12_2.o ccsdt_lambda2_12_3.o ccsdt_lambda2_12_3_1.o OFFSET_ccsdt_lambda2_12_3_1.o ccsdt_lambda2_12_3_2.o ccsdt_lambda2_12_4.o ccsdt_lambda2_12_5.o ccsdt_lambda2_12_6.o ccsdt_lambda2_12_6_1.o OFFSET_ccsdt_lambda2_12_6_1.o ccsdt_lambda2_12_7.o ccsdt_lambda2_12_7_1.o OFFSET_ccsdt_lambda2_12_7_1.o ccsdt_lambda2_13.o ccsdt_lambda2_13_1.o OFFSET_ccsdt_lambda2_13_1.o ccsdt_lambda2_13_2.o ccsdt_lambda2_13_3.o ccsdt_lambda2_14.o ccsdt_lambda2_14_1.o OFFSET_ccsdt_lambda2_14_1.o ccsdt_lambda2_14_2.o ccsdt_lambda2_15.o ccsdt_lambda2_15_1.o OFFSET_ccsdt_lambda2_15_1.o ccsdt_lambda2_15_2.o ccsdt_lambda2_16.o ccsdt_lambda2_16_1.o OFFSET_ccsdt_lambda2_16_1.o ccsdt_lambda2_16_2.o ccsdt_lambda2_17.o ccsdt_lambda2_17_1.o OFFSET_ccsdt_lambda2_17_1.o ccsdt_lambda2_18.o ccsdt_lambda2_18_1.o OFFSET_ccsdt_lambda2_18_1.o ccsdt_lambda2_18_2.o ccsdt_lambda2_19.o ccsdt_lambda2_19_1.o OFFSET_ccsdt_lambda2_19_1.o ccsdt_lambda2_19_2.o ccsdt_lambda2_19_3.o ccsdt_lambda2_19_3_1.o OFFSET_ccsdt_lambda2_19_3_1.o ccsdt_lambda2_19_4.o ccsdt_lambda2_19_4_1.o OFFSET_ccsdt_lambda2_19_4_1.o ccsdt_lambda2_20.o ccsdt_lambda2_20_1.o OFFSET_ccsdt_lambda2_20_1.o ccsdt_lambda2_21.o ccsdt_lambda2_21_1.o OFFSET_ccsdt_lambda2_21_1.o ccsdt_lambda2_22.o ccsdt_lambda2_22_1.o OFFSET_ccsdt_lambda2_22_1.o ccsdt_lambda2_23.o ccsdt_lambda2_23_1.o OFFSET_ccsdt_lambda2_23_1.o ccsdt_lambda2_23_2.o ccsdt_lambda2_23_2_1.o OFFSET_ccsdt_lambda2_23_2_1.o ccsdt_lambda2_23_2_2.o ccsdt_lambda2_23_3.o ccsdt_lambda2_23_3_1.o OFFSET_ccsdt_lambda2_23_3_1.o ccsdt_lambda2_24.o ccsdt_lambda2_24_1.o OFFSET_ccsdt_lambda2_24_1.o ccsdt_lambda2_24_1_1.o OFFSET_ccsdt_lambda2_24_1_1.o ccsdt_lambda2_25.o ccsdt_lambda2_25_1.o OFFSET_ccsdt_lambda2_25_1.o ccsdt_lambda2_25_1_1.o OFFSET_ccsdt_lambda2_25_1_1.o ccsdt_lambda2_26.o ccsdt_lambda2_26_1.o OFFSET_ccsdt_lambda2_26_1.o ccsdt_lambda2_26_1_1.o OFFSET_ccsdt_lambda2_26_1_1.o ccsdt_lambda2_26_2.o ccsdt_lambda2_26_2_1.o OFFSET_ccsdt_lambda2_26_2_1.o ccsdt_lambda2_26_2_1_1.o OFFSET_ccsdt_lambda2_26_2_1_1.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsdt_lambda' Making clean in eomccsdt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/eomccsdt' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo eomccsdt_x1.o eomccsdt_x2.o eomccsdt_y3.o eomccsdt_density1.o eomccsdt_denominator.o eomccsdt_x1a.o eomccsdt_x2a.o eomccsdt_density1_1_1.o eomccsdt_density1_1_2.o eomccsdt_density1_1_3.o eomccsdt_density1_1.o eomccsdt_density1_2_1.o eomccsdt_density1_2_2_1.o eomccsdt_density1_2_2.o eomccsdt_density1_2.o eomccsdt_density1_3_1.o eomccsdt_density1_3_2.o eomccsdt_density1_3_3.o eomccsdt_density1_3_4_1.o eomccsdt_density1_3_4_2.o eomccsdt_density1_3_4_3.o eomccsdt_density1_3_4.o eomccsdt_density1_3_5_1.o eomccsdt_density1_3_5_2.o eomccsdt_density1_3_5.o eomccsdt_density1_3_6_1.o eomccsdt_density1_3_6.o eomccsdt_density1_3.o eomccsdt_density1_4_1.o eomccsdt_density1_4_2_1.o eomccsdt_density1_4_2.o eomccsdt_density1_4.o eomccsdt_density1_5_10_1.o eomccsdt_density1_5_10_2_1.o eomccsdt_density1_5_10_2_2_1.o eomccsdt_density1_5_10_2_2_2.o eomccsdt_density1_5_10_2_2.o eomccsdt_density1_5_10_2.o eomccsdt_density1_5_10_3_1.o eomccsdt_density1_5_10_3.o eomccsdt_density1_5_10.o eomccsdt_density1_5_11_1.o eomccsdt_density1_5_11.o eomccsdt_density1_5_12_1.o eomccsdt_density1_5_12.o eomccsdt_density1_5_13_1_1.o eomccsdt_density1_5_13_1.o eomccsdt_density1_5_13.o eomccsdt_density1_5_1.o eomccsdt_density1_5_2.o eomccsdt_density1_5_3_1.o eomccsdt_density1_5_3_2.o eomccsdt_density1_5_3_3.o eomccsdt_density1_5_3_4_1.o eomccsdt_density1_5_3_4_2.o eomccsdt_density1_5_3_4_3.o eomccsdt_density1_5_3_4.o eomccsdt_density1_5_3_5_1.o eomccsdt_density1_5_3_5_2.o eomccsdt_density1_5_3_5.o eomccsdt_density1_5_3_6_1.o eomccsdt_density1_5_3_6.o eomccsdt_density1_5_3.o eomccsdt_density1_5_4_1.o eomccsdt_density1_5_4_2.o eomccsdt_density1_5_4_3.o eomccsdt_density1_5_4.o eomccsdt_density1_5_5_1.o eomccsdt_density1_5_5_2.o eomccsdt_density1_5_5_3.o eomccsdt_density1_5_5.o eomccsdt_density1_5_6_1.o eomccsdt_density1_5_6_2.o eomccsdt_density1_5_6.o eomccsdt_density1_5_7_1.o eomccsdt_density1_5_7.o eomccsdt_density1_5_8_1.o eomccsdt_density1_5_8_2.o eomccsdt_density1_5_8_3.o eomccsdt_density1_5_8.o eomccsdt_density1_5_9_1.o eomccsdt_density1_5_9_2.o eomccsdt_density1_5_9.o eomccsdt_density1_5.o eomccsdt_density1_6_1.o eomccsdt_density1_6_2.o eomccsdt_density1_6_3_1.o eomccsdt_density1_6_3_2.o eomccsdt_density1_6_3.o eomccsdt_density1_6_4_1.o eomccsdt_density1_6_4_2.o eomccsdt_density1_6_4.o eomccsdt_density1_6_5_1.o eomccsdt_density1_6_5.o eomccsdt_density1_6.o eomccsdt_x2a_all12.o eomccsdt_x2a_all15.o eomccsdt_x2a_all18.o eomccsdt_x2a_all3.o eomccsdt_x2a_all6.o eomccsdt_x2a_all9.o eomccsdt_x2_all12.o eomccsdt_x2_all15.o eomccsdt_x2_all18.o eomccsdt_x2_all3.o eomccsdt_x2_all6.o eomccsdt_x2_all9.o eomccsdt_x3a_all12.o eomccsdt_x3a_all15.o eomccsdt_x3a_all17.o eomccsdt_x3a_all3.o eomccsdt_x3a_all6.o eomccsdt_x3a_all9.o eomccsdt_x3a.o eomccsdt_x3_all12.o eomccsdt_x3_all15.o eomccsdt_x3_all17.o eomccsdt_x3_all3.o eomccsdt_x3_all6.o eomccsdt_x3_all9.o eomccsdt_x3.o eomccsdt_y1_all12.o eomccsdt_y1_all15.o eomccsdt_y1_all18.o eomccsdt_y1_all20.o eomccsdt_y1_all3.o eomccsdt_y1_all6.o eomccsdt_y1_all9.o eomccsdt_y1.o eomccsdt_y2_all12.o eomccsdt_y2_all15.o eomccsdt_y2_all18.o eomccsdt_y2_all21.o eomccsdt_y2_all24.o eomccsdt_y2_all25.o eomccsdt_y2_all3.o eomccsdt_y2_all6.o eomccsdt_y2_all9.o eomccsdt_y2.o OFFSET_eomccsdt_1.o OFFSET_eomccsdt_2.o OFFSET_eomccsdt_3.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/eomccsdt' Making clean in ccsd_alpha make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_alpha' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo alpha_1_1_1.o alpha_1_1_2.o alpha_1_1_3_1.o alpha_1_1_3_2.o alpha_1_1_3.o alpha_1_1_4_1.o alpha_1_1_4_2.o alpha_1_1_4.o alpha_1_1_5_1.o alpha_1_1_5.o alpha_1_1_6_1.o alpha_1_1_6.o alpha_1_1.o alpha_1_2_1.o alpha_1_2_2.o alpha_1_2.o alpha_1_3_1.o alpha_1_3.o alpha_1_4_1.o alpha_1_4.o alpha_1.o alpha_2_1_1.o alpha_2_1.o alpha_2_2_1_1.o alpha_2_2_1_2.o alpha_2_2_1.o alpha_2_2_2_1.o alpha_2_2_2_2.o alpha_2_2_2.o alpha_2_2_3_1.o alpha_2_2_3.o alpha_2_2_4_1.o alpha_2_2_4.o alpha_2_2.o alpha_2_3_1_1.o alpha_2_3_1_2.o alpha_2_3_1_3_1.o alpha_2_3_1_3.o alpha_2_3_1_4_1.o alpha_2_3_1_4.o alpha_2_3_1.o alpha_2_3_2_1.o alpha_2_3_2_2.o alpha_2_3_2_3_1.o alpha_2_3_2_3.o alpha_2_3_2_4_1.o alpha_2_3_2_4.o alpha_2_3_2.o alpha_2_3_3_1.o alpha_2_3_3.o alpha_2_3_4_1.o alpha_2_3_4.o alpha_2_3_5_1.o alpha_2_3_5.o alpha_2_3_6_1.o alpha_2_3_6.o alpha_2_3_7_1.o alpha_2_3_7.o alpha_2_3_8_1.o alpha_2_3_8.o alpha_2_3_9_1_1.o alpha_2_3_9_1.o alpha_2_3_9_2_1.o alpha_2_3_9_2.o alpha_2_3_9.o alpha_2_3.o alpha_2_4_1_1.o alpha_2_4_1.o alpha_2_4.o alpha_2_5_10_1_1.o alpha_2_5_10_1.o alpha_2_5_10_2_1.o alpha_2_5_10_2.o alpha_2_5_10_3_1.o alpha_2_5_10_3.o alpha_2_5_10_4_1.o alpha_2_5_10_4.o alpha_2_5_10_5_1.o alpha_2_5_10_5.o alpha_2_5_10_6_1.o alpha_2_5_10_6.o alpha_2_5_10_7_1.o alpha_2_5_10_7.o alpha_2_5_10_8_1_1.o alpha_2_5_10_8_1.o alpha_2_5_10_8.o alpha_2_5_10.o alpha_2_5_11_1_1.o alpha_2_5_11_1.o alpha_2_5_1_1.o alpha_2_5_11.o alpha_2_5_12_1_1.o alpha_2_5_12_1.o alpha_2_5_1_2.o alpha_2_5_12.o alpha_2_5_13_1_1.o alpha_2_5_1_3_1.o alpha_2_5_13_1.o alpha_2_5_13_2_1.o alpha_2_5_13_2.o alpha_2_5_1_3.o alpha_2_5_13.o alpha_2_5_14_1_1.o alpha_2_5_14_1.o alpha_2_5_14_2_1.o alpha_2_5_14_2.o alpha_2_5_14.o alpha_2_5_1.o alpha_2_5_2_1.o alpha_2_5_2.o alpha_2_5_3_1.o alpha_2_5_3_2.o alpha_2_5_3.o alpha_2_5_4_1.o alpha_2_5_4_2_1.o alpha_2_5_4_2.o alpha_2_5_4.o alpha_2_5_5_1.o alpha_2_5_5_2.o alpha_2_5_5.o alpha_2_5_6_1.o alpha_2_5_6.o alpha_2_5_7_1.o alpha_2_5_7.o alpha_2_5_8_1.o alpha_2_5_8.o alpha_2_5_9_1.o alpha_2_5_9.o alpha_2_5.o alpha_2_6_1_1.o alpha_2_6_1.o alpha_2_6.o alpha_2_7_1_1.o alpha_2_7_1_2_1.o alpha_2_7_1_2.o alpha_2_7_1.o alpha_2_7_2_1.o alpha_2_7_2.o alpha_2_7_3_1.o alpha_2_7_3.o alpha_2_7_4_1.o alpha_2_7_4_2_1.o alpha_2_7_4_2.o alpha_2_7_4.o alpha_2_7_5_1.o alpha_2_7_5.o alpha_2_7_6_1.o alpha_2_7_6.o alpha_2_7_7_1_1.o alpha_2_7_7_1.o alpha_2_7_7.o alpha_2_7.o alpha_2_8_1_1.o alpha_2_8_1.o alpha_2_8_2_1.o alpha_2_8_2.o alpha_2_8_3_1.o alpha_2_8_3.o alpha_2_8_4_1_1.o alpha_2_8_4_1_2_1.o alpha_2_8_4_1_2.o alpha_2_8_4_1.o alpha_2_8_4_2_1.o alpha_2_8_4_2.o alpha_2_8_4_3_1.o alpha_2_8_4_3_2_1.o alpha_2_8_4_3_2.o alpha_2_8_4_3.o alpha_2_8_4_4_1.o alpha_2_8_4_4.o alpha_2_8_4_5_1_1.o alpha_2_8_4_5_1.o alpha_2_8_4_5.o alpha_2_8_4.o alpha_2_8_5_1_1.o alpha_2_8_5_1.o alpha_2_8_5_2_1.o alpha_2_8_5_2.o alpha_2_8_5.o alpha_2_8_6_1_1.o alpha_2_8_6_1.o alpha_2_8_6_2_1.o alpha_2_8_6_2.o alpha_2_8_6_3_1.o alpha_2_8_6_3.o alpha_2_8_6_4_1.o alpha_2_8_6_4.o alpha_2_8_6.o alpha_2_8_7_1_1.o alpha_2_8_7_1.o alpha_2_8_7.o alpha_2_8_8_1_1.o alpha_2_8_8_1.o alpha_2_8_8.o alpha_2_8.o alpha_2.o dip_r_1_1.o dip_r_1_2.o dip_r_1.o dip_r_2.o dip_r.o offset_alpha_1_1_1.o offset_alpha_1_1_3_1.o offset_alpha_1_1_4_1.o offset_alpha_1_1_5_1.o offset_alpha_1_1_6_1.o offset_alpha_1_2_1.o offset_alpha_1_3_1.o offset_alpha_1_4_1.o offset_alpha_2_1_1.o offset_alpha_2_2_1_1.o offset_alpha_2_2_1.o offset_alpha_2_2_2_1.o offset_alpha_2_2_3_1.o offset_alpha_2_2_4_1.o offset_alpha_2_3_1_1.o offset_alpha_2_3_1_3_1.o offset_alpha_2_3_1_4_1.o offset_alpha_2_3_1.o offset_alpha_2_3_2_1.o offset_alpha_2_3_2_3_1.o offset_alpha_2_3_2_4_1.o offset_alpha_2_3_3_1.o offset_alpha_2_3_4_1.o offset_alpha_2_3_5_1.o offset_alpha_2_3_6_1.o offset_alpha_2_3_7_1.o offset_alpha_2_3_8_1.o offset_alpha_2_3_9_1_1.o offset_alpha_2_3_9_1.o offset_alpha_2_3_9_2_1.o offset_alpha_2_4_1_1.o offset_alpha_2_4_1.o offset_alpha_2_5_10_1_1.o offset_alpha_2_5_10_1.o offset_alpha_2_5_10_2_1.o offset_alpha_2_5_10_3_1.o offset_alpha_2_5_10_4_1.o offset_alpha_2_5_10_5_1.o offset_alpha_2_5_10_6_1.o offset_alpha_2_5_10_7_1.o offset_alpha_2_5_10_8_1_1.o offset_alpha_2_5_10_8_1.o offset_alpha_2_5_11_1_1.o offset_alpha_2_5_11_1.o offset_alpha_2_5_1_1.o offset_alpha_2_5_12_1_1.o offset_alpha_2_5_12_1.o offset_alpha_2_5_13_1_1.o offset_alpha_2_5_1_3_1.o offset_alpha_2_5_13_1.o offset_alpha_2_5_13_2_1.o offset_alpha_2_5_14_1_1.o offset_alpha_2_5_14_1.o offset_alpha_2_5_14_2_1.o offset_alpha_2_5_1.o offset_alpha_2_5_2_1.o offset_alpha_2_5_3_1.o offset_alpha_2_5_4_1.o offset_alpha_2_5_4_2_1.o offset_alpha_2_5_5_1.o offset_alpha_2_5_6_1.o offset_alpha_2_5_7_1.o offset_alpha_2_5_8_1.o offset_alpha_2_5_9_1.o offset_alpha_2_6_1_1.o offset_alpha_2_6_1.o offset_alpha_2_7_1_1.o offset_alpha_2_7_1_2_1.o offset_alpha_2_7_1.o offset_alpha_2_7_2_1.o offset_alpha_2_7_3_1.o offset_alpha_2_7_4_1.o offset_alpha_2_7_4_2_1.o offset_alpha_2_7_5_1.o offset_alpha_2_7_6_1.o offset_alpha_2_7_7_1_1.o offset_alpha_2_7_7_1.o offset_alpha_2_8_1_1.o offset_alpha_2_8_1.o offset_alpha_2_8_2_1.o offset_alpha_2_8_3_1.o offset_alpha_2_8_4_1_1.o offset_alpha_2_8_4_1_2_1.o offset_alpha_2_8_4_1.o offset_alpha_2_8_4_2_1.o offset_alpha_2_8_4_3_1.o offset_alpha_2_8_4_3_2_1.o offset_alpha_2_8_4_4_1.o offset_alpha_2_8_4_5_1_1.o offset_alpha_2_8_4_5_1.o offset_alpha_2_8_5_1_1.o offset_alpha_2_8_5_1.o offset_alpha_2_8_5_2_1.o offset_alpha_2_8_6_1_1.o offset_alpha_2_8_6_1.o offset_alpha_2_8_6_2_1.o offset_alpha_2_8_6_3_1.o offset_alpha_2_8_6_4_1.o offset_alpha_2_8_7_1_1.o offset_alpha_2_8_7_1.o offset_alpha_2_8_8_1_1.o offset_alpha_2_8_8_1.o offset_dip_r_1_1.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_alpha' Making clean in ccsd_beta make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_beta' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo beta_1_all.o beta_2_all.o beta_3_all.o beta_4_all.o beta_all_offsets.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_beta' Making clean in ccsd_yr make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_yr' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo ccsd_y_o1.o ccsd_y_o2.o ccsd_yr1.o ccsd_yr2.o ccsd_y_tr1.o ccsd_y_tr2.o alpha_2_yr.o ccsd_lr_d1_hh.o ccsd_lr_d1_ph.o ccsd_lr_d1_hp.o ccsd_lr_d1_pp.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/ccsd_yr' Making clean in response make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/response' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo ccsd_o1.o ccsd_o2.o eomccsd_o1.o eomccsd_o2.o ccsdt_o1.o ccsdt_o2.o ccsdt_o3.o ccsdtq_o1.o ccsdtq_o2.o ccsdtq_o3.o ccsdtq_o4.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/response' Making clean in mrcc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../include -I./include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies Making clean in include make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/include' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/ ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/include' Making clean in ccsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/ccsd' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo mr_ccsd_e.o mr_ccsd_t1.o mr_ccsd_t2.o mr_ccsd_dcl.o T2_C2_1.o T2_C2.o T2_pg_C2_1.o T2_pg_C2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/ccsd' Making clean in ccsd_sub make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/ccsd_sub' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo ccsd_st1.o ccsd_st2.o ccsd_se.o ccsd_dcl_sub.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/ccsd_sub' Making clean in ccsd_t make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/ccsd_t' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo tce_mrcc_q3vnt1.o tce_mrcc_q3vnt2.o tce_mrcc_q3fnt2.o tce_mrcc_ccsdpt.o tce_mrcc_ccsdpt_subg.o tce_mrcc_q3vnt1_subg.o tce_mrcc_q3fnt2_subg.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/ccsd_t' Making clean in uss make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/uss' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../../include -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo tce_uss_offdiagonal_1.o tce_uss_offdiagonal_2.o tce_uss_offdiagonal_3.o tce_uss_offdiagonal_4.o ccsd_r3.o ccsd_r4.o tce_uss_aux.o tce_uss_T1_R1.o tce_uss_T2_R2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc/uss' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo tce_mrcc_input.o tce_mrcc_energy.o tce_mrcc_readref.o tce_mrcc_calcexcit.o tce_mrcc_sortint.o tce_mrcc_tile.o tce_mrcc_macpy.o tce_mrcc_fillindexarray.o tce_mrcc_uhf.o create_mr_evl_sorted.o pgcreatefile.o tce_mrcc_mo2e.o tce_mrcc_ao2e.o tce_subnxtask.o tce_mrcc_sublock.o eaf_mrcc.o tce_t3ac_offset.o tce_t4ac_offset.o tce_mrcc_refs_sym.o tce_mrcc_force_orben.o tce_mrcc_diis_init.o tce_mrcc_heff.o tce_mrcc_diis.o tce_mrcc_jacobi_t1.o tce_mrcc_jacobi_t2.o tce_mrcc_gacp.o tce_mrcc_daxfile.o tce_mrcc_diis_tidy.o tce_jacobi_sub_t1.o tce_jacobi_sub_t2.o tce_mrcc_c1.o tce_mrcc_c1_offset.o tce_mrcc_c2.o tce_mrcc_c2_offset.o tce_mrcc_mul_1.o tce_mrcc_mul_2.o tce_mrcc_diis_save.o tce_mrcc_diis_new.o tce_mrcc_create_cas1.o atpart_nalength_mrcc.o new_ga4ind_N5uhf_mrcc_lm2.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce/mrcc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ] ; then \ echo tce_input.o tce_init.o tce_energy.o tce_energy_fragment.o tce_tile.o tce_ao1e.o tce_mo1e.o tce_ao2e.o tce_filename.o createfile.o deletefile.o reconcilefile.o dratoga.o gatodra.o gatoeaf.o get_block.o put_block.o add_block.o tce_tidy.o sf_test.o hbar.o tce_mo2e.o tce_mo1e_offset.o tce_mo2e_offset.o tce_e_offset.o tce_guess_t1.o tce_guess_t2.o tce_zero.o tce_print_x1.o tce_print_x2.o tce_residual_t1.o tce_residual_t2.o tce_residual_t3.o tce_residual_t4.o ma_pack.o sf_print.o ma_print_compact.o ma_scale.o copyfile.o ddotfile.o daxfile.o daxpyfile.o dscalfile.o tce_aod1.o tce_nud1.o tce_mod1.o tce_mod1_offset.o sym_abelian_axis.o tce_mod1_new.o tce_mod1_offset_new.o tce_eom_init.o tce_eom_tidy.o tce_eom_xdiagon.o tce_eom_ydiagon.o tce_t1_offset.o tce_t2_offset.o tce_t3_offset.o tce_t4_offset.o tce_x1_offset.o tce_x2_offset.o tce_x3_offset.o tce_x4_offset.o tce_y1_offset.o tce_y2_offset.o tce_y3_offset.o tce_y4_offset.o tce_mbpt2.o tce_restricted.o tce_hash.o get_hash_block.o put_hash_block.o add_hash_block.o tce_residual_t3a.o tce_t3a_offset.o tce_x3a_offset.o tce_cholesky.o tce_ao2e_cholesky.o tce_ao2e_cholesky_2d.o tce_ao2e_cholesky_4d.o e2_offset_2_offset.o get_block_ind.o get_block_ind_sf.o tce_hash_ind.o tce_mo2e_offset_intorb.o tce_mo2e_offset_size.o tce_mo2e_trans.o atpart_nalength.o tce_mo2e_zones_4a_disk_ga.o tce_mo2e_zones_4a_disk_ga_chop.o tce_mo2e_zones_4a_disk_2s_new.o tce_restart.o tce_restart_triples.o tce_restart_quadruples.o tce_dens_hh_offset.o tce_dens_hp_offset.o tce_dens_pp_offset.o tce_dens_ph_offset.o get_mo_rdm_hh.o get_mo_rdm_hp.o get_mo_rdm_ph.o get_mo_rdm_pp.o ao_rdm_write.o tce_prop_start.o tce_property.o tce_diagnose_t1.o tce_fourindex_driver.o tce_fock_create.o tce_multipole_create.o tce_reference_check.o tce_fourindex_cleanup.o tce_fock_destroy.o tce_multipole_destroy.o tce_create_t1.o tce_create_t2.o tce_create_t3.o tce_create_t4.o tce_create_x1.o tce_create_x2.o tce_create_x3.o tce_create_x4.o tce_create_y1.o tce_create_y2.o tce_create_y3.o tce_create_y4.o tce_clone_x1.o tce_clone_x2.o tce_clone_x3.o tce_clone_x4.o tce_clone_y1.o tce_clone_y2.o tce_clone_y3.o tce_clone_y4.o tce_t1_offset_new.o tce_t2_offset_new.o tce_t3_offset_new.o tce_t4_offset_new.o tce_x1_offset_new.o tce_x2_offset_new.o tce_x3_offset_new.o tce_x4_offset_new.o tce_y1_offset_new.o tce_y2_offset_new.o tce_y3_offset_new.o tce_y4_offset_new.o tce_ccsd_driver.o tce_ccsdt_driver.o tce_ccsdtq_driver.o tce_ccsd_perturbative.o tce_ccsd_lambda_perturbative.o tce_ccsd_lambda_driver.o tce_ccsdt_lambda_driver.o tce_ccsdtq_lambda_driver.o tce_ccsd_response_driver.o tce_ccsdt_response_driver.o tce_ccsdtq_response_driver.o tce_ccsd_symm_polar.o tce_ccsdt_symm_polar.o tce_ccsdtq_symm_polar.o tce_ccsd_lambda_response_driver.o tce_ccsd_asym_polar.o tce_ccsd_hyperpolar.o tce_ao2e_new.o tce_mo2e_new.o tce_tile_new.o tce_init_new.o tce_mo2e_zones_4a_disk_4s_new_patch.o tce_mo2e_zones_4a_disk_4s_new_patch_m2.o tce_mo2e_zones_4a_disk_4s_new_patch_m3.o tce_ao2e_disk.o tce_mo2e_disk.o tce_mo2e_disk_2eorb.o tce_mo2e_incore_2eorb.o tce_mo2e_incore_2eorb_split.o tce_mo2e_hybrid_2eorb_split.o tce_mo2e_offset_intorb_hybrid.o tce_mo2e_2emet3.o tce_mo2e_2emet3_n5.o tce_mo2e_2emet4.o tce_mo2e_2emet4_n5.o get_hash_block_ma.o ccsd_energy_loc.o cc2_energy.o ccsd_lambda.o ccsd_lr_alpha.o ccsd_qr_beta.o tce_dgeev.o tce_schmidt.o tensor_read_write.o tce_diis_act.o tce_mo2e_zones_4a_disk_ga_act.o tce_mo2e_zones_4a_disk_ga_chop_act.o tce_t2a_offset.o tce_x2a_offset.o new_ga4ind_N5.o new4ind_N5_osu.o tce_mo2e_zones_4a_disk_ga_N5.o tce_mo2e_zones_4a_disk_ga_chop_N5.o tce_eom_xguess.o tce_eom_yguess.o ma_transpose.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/tce' Making realclean in bq make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/bq' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libbq.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/bq' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libbq.a ] ; then \ echo bq_input.o bq_data.o bq_rtdb.o bq_main.o bq_force.o bq_checksum.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libbq.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libbq.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libbq.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/bq' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/bq' Making realclean in mm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/mm' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libmm.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/mm' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libmm.a ] ; then \ echo mm_input.o mm_data.o mm_coords.o mm_vdw.o mm_bond.o mm_bond_coords.o mm_link.o mm_geom.o mm_vdw_coords.o mm_bq.o mm_neb.o mm_cons.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libmm.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libmm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libmm.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/mm' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/mm' Making realclean in cons make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/cons' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libcons.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/cons' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libcons.a ] ; then \ echo cons_input.o cons.o cons_utils.o cons_springs.o cons_rtdb.o cons_data.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libcons.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libcons.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libcons.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/cons' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/cons' Making realclean in perfm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/perfm' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libperfm.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/perfm' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libperfm.a ] ; then \ echo perfm_start.o perfm_end.o perfm_flop.o dist.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libperfm.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libperfm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libperfm.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/perfm' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/perfm' Making realclean in dntmc make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/dntmc' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdntmc.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/dntmc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdntmc.a ] ; then \ echo dntmc_input.o dntmc_setgeom.o gibbs.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdntmc.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdntmc.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdntmc.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/dntmc' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/dntmc' Making realclean in dangchang make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/dangchang' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdangchang.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/dangchang' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdangchang.a ] ; then \ echo dc_initialize.o dc_setgeom.o dc_energy.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdangchang.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdangchang.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdangchang.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/dangchang' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/dangchang' Making realclean in ccca make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/ccca' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../basis -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libccca.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/ccca' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libccca.a ] ; then \ echo task_ccca.o ccca_utils.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libccca.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libccca.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libccca.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/ccca' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/ccca' Making realclean in dimqm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/dimqm' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I../util -I../nwdft/grid -I../NWints/hondo -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdimqm.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/dimqm' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdimqm.a ] ; then \ echo dimqm_input.o dimpar_input.o dimqm_prep.o dimqm_main.o dimqm_polarizability.o dimqm_f2d.o dimqm_iterative.o qmr_real.o qmr_complex.o matvecReal.o matvecComplex.o dimqm_EqmE.o t2.o pphilo.o dimqm_fldpot.o dimqm_EqmN.o dimqm_printAtomicDipoles.o dimqm_energy.o dimqm_printDipole.o dimqm_Dens2Dipoles.o dimqm_indDipoles.o dimqm_printAtoms.o dimqm_addop.o dimqm_lclfld.o seeded_qmr_real.o qmr_seed_real.o seeded_qmr_real_augment.o dimqm_tidy.o qmr_seed_complex.o seeded_qmr_complex.o dimqm_broadcast.o CubicSpline.o dim_fock_xc.o dim_getv.o dim_tabcd.o dim_eval_fnl.o dim_grid_quadv0.o dim_grid_quadv0a.o dim_grid_quadv0b.o dimqm_seeding.o dimqm_rohf.o dimqm_util.o dimqm_addop_uhf.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdimqm.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdimqm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libdimqm.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/dimqm' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/dimqm' Making realclean in fcidump make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/fcidump' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libfcidump.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/fcidump' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libfcidump.a ] ; then \ echo fcidump_inp.o task_fcidump.o fcidump_header.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libfcidump.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libfcidump.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libfcidump.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/fcidump' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/fcidump' Making realclean in gwmol make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/gwmol' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I./ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libgwmol.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/gwmol' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libgwmol.a ] ; then \ echo gwmol.o ga_chol_inv_seq.o gw_input.o gw_defaults.o gw_init.o gw_finalize.o gw_memory.o gw_vxc.o gw_donewton.o gw_cdgw.o gw_cdgw_buildin.o gw_cdgw_newton.o gw_cdgw_graph.o gw_analytic.o gw_analytic_newton.o gw_analytic_graph.o gw_ri_init.o gw_invdiag.o gw_tools.o gw_analytic_wmn.o gw_analytic_sigmac.o gw_analytic_addrpa.o gw_analytic_ovscale.o gw_analytic_rpa.o gw_analytic_scalxpy.o gw_analytic_sigmac_graph.o gw_minres.o gw_cdgw_buildrn_graph.o gw_cdgw_buildiw.o gw_cdgw_buildin_graph.o gw_cdgw_buildpi.o gw_cdgw_buildrn_minres.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libgwmol.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libgwmol.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/libgwmol.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/gwmol' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/gwmol' Making realclean in 64to32blas make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:300: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:300: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:300: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:300: warning: ignoring old recipe for target '32_to_64' /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/src/tools/install/include > dependencies GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:300: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:300: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:300: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:300: warning: ignoring old recipe for target '32_to_64' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/lib64to32.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:300: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:300: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:300: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:300: warning: ignoring old recipe for target '32_to_64' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/lib64to32.a ] ; then \ echo yscal.o ycopy.o ydot.o ygemm.o ygemv.o iyamax.o ygesv.o ygesvd.o yaxpy.o yspsvx.o yposv.o ysyev.o ysyevd.o yger.o yrot.o ylaset.o yswap.o ygebak.o ygebal.o ynrm2.o ylacpy.o ylascl.o ylange.o ytrevc.o yhseqr.o yorghr.o ygehrd.o ysterf.o ylarnv.o ylagtf.o ylagts.o yasum.o ypotri.o ypotrf.o ysygv.o ygeev.o ygeevx.o ygels.o ygelss.o ygtsv.o ypftrf.o ypftri.o ytfsm.o ygetrf.o ygetri.o ygetrs.o ifily.o jscal.o jaxpy.o jgemm.o jheev.o jcopy.o jdotc.o ijamax.o jgesvd.o jgeev.o jgetrs.o jgetrf.o jlacpy.o ysfrk.o ysysv.o ysytrf.o ysytrs.o ysymm.o ysymv.o ysyr2k.o ytrmm.o ytrtri.o jlacp2.o ysyrk.o jsyrk.o jsysv.o jsytrf.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/lib64to32.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/lib64to32.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/lib64to32.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/64to32blas' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/64to32blas' Making realclean in config make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/src/config' /bin/rm -f /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/depend.x depend.o /bin/rm -f nwchem_config.h NWCHEM_CONFIG make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src/config' rm -f /build/reproducible-path/nwchem-7.2.2/lib/LINUX64/*.a /build/reproducible-path/nwchem-7.2.2/bin/LINUX64/* rm -f *.db movecs fort.41 fort.44 rm -f util/util_version.F make[2]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/src' (cd /build/reproducible-path/nwchem-7.2.2/doc && make -j 12 realclean) make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.2/doc' Making realclean in prog make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/doc' make[3]: warning: jobserver unavailable: using -j1. Add '+' to parent make rule. make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/doc/prog' /bin/rm -f *.dvi *.ps *.toc *.aux *.log *~ /bin/rm -rf prog make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/doc/prog' rm -f progpdf.pdf progpdf.out make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/doc/prog' Making realclean in user make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/doc' make[3]: warning: jobserver unavailable: using -j1. Add '+' to parent make rule. make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/doc/user' /bin/rm -f *.dvi *.ps *.toc *.aux *.log *~ /bin/rm -rf user make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/doc/user' rm -f userpdf.pdf userpdf.out make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/doc/user' make[2]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/doc' rm -rf /build/reproducible-path/nwchem-7.2.2/bin /build/reproducible-path/nwchem-7.2.2/lib /build/reproducible-path/nwchem-7.2.2/src/tools/lib rm -rf /build/reproducible-path/nwchem-7.2.2/QA/scratchdir /build/reproducible-path/nwchem-7.2.2/QA/testoutputs rm -f src/util/util_version.F src/stubs.F src/util/util_module_avail.F src/util/util_nwchem_version.F find /build/reproducible-path/nwchem-7.2.2 -name "*.stamp" | xargs rm -f dh_auto_clean rm -f src/config/NWCHEM_CONFIG src/config/nwchem_config.h make[1]: Leaving directory '/build/reproducible-path/nwchem-7.2.2' dh_clean debian/rules build dh build --with python3 dh_update_autotools_config cp: warning: behavior of -n is non-portable and may change in future; use --update=none instead cp: warning: behavior of -n is non-portable and may change in future; use --update=none instead cp: warning: behavior of -n is non-portable and may change in future; use --update=none instead cp: warning: behavior of -n is non-portable and may change in future; use --update=none instead cp: warning: behavior of -n is non-portable and may change in future; use --update=none instead cp: warning: behavior of -n is non-portable and may change in future; use --update=none instead dh_autoreconf debian/rules execute_before_dh_auto_configure make[1]: Entering directory '/build/reproducible-path/nwchem-7.2.2' rm -rf /build/reproducible-path/nwchem-7.2.2/pristine-src /build/reproducible-path/nwchem-7.2.2/build-mpich /build/reproducible-path/nwchem-7.2.2/build-openmpi tmpdir=`mktemp -d`; \ cp -ra /build/reproducible-path/nwchem-7.2.2/* ${tmpdir}; \ cp debian/dftd3/dftd3.tgz ${tmpdir}/src/nwpw/nwpwlib/nwpwxc; \ mv $tmpdir /build/reproducible-path/nwchem-7.2.2/pristine-src cp -ra pristine-src build-mpich cp -ra pristine-src build-openmpi make[1]: Leaving directory '/build/reproducible-path/nwchem-7.2.2' debian/rules override_dh_auto_build-arch make[1]: Entering directory '/build/reproducible-path/nwchem-7.2.2' set -e; \ for mpi_flavor in mpich openmpi; do \ if [ "x${mpi_flavor}" = "xmpich" ]; then \ export LIBMPI="-L/usr/lib/aarch64-linux-gnu/mpich/lib -lmpichfort -lmpich "; \ export LDFLAGS="${LDFLAGS} -pthread"; \ else \ export LIBMPI="-L/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran -L/usr/lib/aarch64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi "; \ fi; \ echo "building nwchem against ${mpi_flavor}"; \ echo "using LIBMPI=${LIBMPI}"; \ export NWCHEM_TOP=/build/reproducible-path/nwchem-7.2.2/build-${mpi_flavor}; \ export MPICC=mpicc.${mpi_flavor}; \ export MPICXX=mpicxx.${mpi_flavor}; \ export MPIF77=mpif77.${mpi_flavor}; \ export MPIFC=mpifort.${mpi_flavor}; \ export MPIF90=mpif90.${mpi_flavor}; \ export MPI_INCLUDE=/usr/include/aarch64-linux-gnu/${mpi_flavor}; \ export MPIRUN_PATH=/usr/bin/mpirun.${mpi_flavor}; \ export SCALAPACK=-lscalapack-${mpi_flavor}; \ export BLACS=-lscalapack-${mpi_flavor}; \ export EXTERNAL_GA_PATH=/usr/lib/aarch64-linux-gnu/ga/${mpi_flavor}; \ export GA_INCLUDE_PATH=/usr; \ export LIBDIR=${NWCHEM_TOP}/lib/LINUX64; \ mkdir -p ${NWCHEM_TOP}/bin/${NWCHEM_TARGET}; \ (cd ${NWCHEM_TOP}/src && NWCHEM_TOP=${NWCHEM_TOP} make -j 12 nwchem_config); \ if [ "x64" = "x64" ]; then \ (cd ${NWCHEM_TOP}/src && make -j 12 64_to_32) ; \ find ${NWCHEM_TOP}/src -name include_stamp | xargs rm -f; \ find ${NWCHEM_TOP}/src -name dependencies | xargs rm -f; \ fi; \ (cd ${NWCHEM_TOP}/src && make -j 12); \ (cd ${NWCHEM_TOP}/src/util && make -j 12); \ (cd ${NWCHEM_TOP}/src && make -j 12 link); \ if [ "x64" = "x64" ]; then \ (cd ${NWCHEM_TOP}/src && make -j 12 32_to_64); \ fi; \ cp ${NWCHEM_TOP}/bin/LINUX64/nwchem ${NWCHEM_TOP}/bin/LINUX64/nwchem.${mpi_flavor}; \ done building nwchem against mpich using LIBMPI=-L/usr/lib/aarch64-linux-gnu/mpich/lib -lmpichfort -lmpich make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** make -C config -f make_nwchem_config NWCHEM_MODULES=""pnnl"" make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/config' echo \# This configuration generated automatically on \ `hostname` at `date` > nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG cp census.skeleton ../stubs.F cp util_module_avail_F.begin ../util/util_module_avail.F echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F for routine in argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input; do \ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done cat util_module_avail_F.end >> ../util/util_module_avail.F echo "# Request modules from user: pnnl" >> nwchem_config.h echo "# Request modules from user: pnnl" >> NWCHEM_CONFIG echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol" >> nwchem_config.h echo The following subdirectories are built: >> NWCHEM_CONFIG echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lfcidump -lgwmol" >> nwchem_config.h echo "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb" >> nwchem_config.h echo NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf >> NWCHEM_CONFIG echo corresponding to these libraries: >> NWCHEM_CONFIG echo "CONFIG_LIBS = " >> nwchem_config.h echo -lnwints -lanalyze -lguess -lbq -lcafe -lccca -lccsd -lcons -lcphf -ldangchang -lddscf -ldimqm -ldntmc -ldplot -ldrdy -ldriver -lesp -letrans -lfcidump -lpfft -lgradients -lgwmol -lhessian -lmcscf -lmm -lmoints -lmp2 -lnwdft -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -loptim -lperfm -lprepar -lproperty -lnwpython -lqhop -lqmd -lqmmm -lrimp2 -lselci -lsolvation -lspace -lstepper -lnwcutil -ltce -lvib -lvscf >> NWCHEM_CONFIG echo >> NWCHEM_CONFIG echo The following directories are excluded from the build: >> NWCHEM_CONFIG echo develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb >> NWCHEM_CONFIG echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG echo argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input >> NWCHEM_CONFIG echo "No extra configuration libraries were added " >> NWCHEM_CONFIG make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/config' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** make -C config -f make_nwchem_config NWCHEM_MODULES=""pnnl"" make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/config' echo \# This configuration generated automatically on \ `hostname` at `date` > nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG cp census.skeleton ../stubs.F cp util_module_avail_F.begin ../util/util_module_avail.F for routine in argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input; do \ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done echo "# Request modules from user: pnnl" >> nwchem_config.h echo "# Request modules from user: pnnl" >> NWCHEM_CONFIG echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol" >> nwchem_config.h cat util_module_avail_F.end >> ../util/util_module_avail.F echo The following subdirectories are built: >> NWCHEM_CONFIG echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lfcidump -lgwmol" >> nwchem_config.h echo NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf >> NWCHEM_CONFIG echo "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb" >> nwchem_config.h echo corresponding to these libraries: >> NWCHEM_CONFIG echo "CONFIG_LIBS = " >> nwchem_config.h echo -lnwints -lanalyze -lguess -lbq -lcafe -lccca -lccsd -lcons -lcphf -ldangchang -lddscf -ldimqm -ldntmc -ldplot -ldrdy -ldriver -lesp -letrans -lfcidump -lpfft -lgradients -lgwmol -lhessian -lmcscf -lmm -lmoints -lmp2 -lnwdft -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -loptim -lperfm -lprepar -lproperty -lnwpython -lqhop -lqmd -lqmmm -lrimp2 -lselci -lsolvation -lspace -lstepper -lnwcutil -ltce -lvib -lvscf >> NWCHEM_CONFIG echo >> NWCHEM_CONFIG echo The following directories are excluded from the build: >> NWCHEM_CONFIG echo develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb >> NWCHEM_CONFIG echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG echo argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input >> NWCHEM_CONFIG echo "No extra configuration libraries were added " >> NWCHEM_CONFIG make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/config' make[2]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src' make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** make[2]: '64_to_32' is up to date. make[2]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src' make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64 || mkdir -p /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64 test -d /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64 || mkdir -p /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64 ./util/util_nwchem_version.bash Making libraries in include make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/include' for dir in include basis geom inp input pstat rtdb task symmetry util peigs perfm bq cons NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol 64to32blas; do \ echo Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/$dir ; \ (cd /build/reproducible-path/nwchem-7.2.2/build-mpich/src/$dir; make include_stamp) ; \ done Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/include' Nothing to be done make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/include' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/basis make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/basis' ( cd /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config; make /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x ; ) make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/config' gcc -g -o /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x depend.c /bin/rm -f depend.o make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/config' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p bas.fh basP.fh bas_staticP.fh basdeclsP.fh geobasmapP.fh bas_exndcf.fh bas_exndcf_dec.fh bas_exndcf_sfn.fh bas_ibs.fh bas_ibs_dec.fh bas_ibs_sfn.fh ../NWints/rel/rel_nwc.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/basis' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/geom make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/geom' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p geom.fh geomP.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/geom' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/inp make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/inp' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p inp.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/inp' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/input make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/input' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/input' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/pstat make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/pstat' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p pstat.fh pstat_consts.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/pstat' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/rtdb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rtdb' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in hdbm make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rtdb/hdbm' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p hdbm.h /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rtdb/hdbm' cp -p context.h rtdb.h rtdb.fh context.fh rtdb.cray.h /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rtdb' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/task make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/task' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/task' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/symmetry make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/symmetry' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p sym.fh ../NWints/auxil/spcartP.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/symmetry' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/util make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/util' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in md5 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/util/md5' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p checksum.h /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/util/md5' cp -p util.fh itri.fh msgids.fh numerical_constants.fh stdio.fh printlevels.fh bitops.fh bitops_decls.fh bitops_funcs.fh bgj.fh bgj_common.fh nwc_const.fh errquit.fh util_sgroup.fh util_params.fh utilc_nwchem_srcdir.fh util_maxlength.fh util_intsize.fh vtune.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/util' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/peigs make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/peigs' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/peigs' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/perfm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/perfm' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p dist.fh yflop.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/perfm' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/bq make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/bq' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p bq.fh bq_params.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/bq' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/cons make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cons' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cons' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in simint make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/simint' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in module make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/simint/module' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/simint/module' Making include_stamp in source make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/simint/source' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/simint/source' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/simint' Making include_stamp in api make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/api' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p int_tim.fh apiP.fh int_nbf.fh ../../property/prop.fh candoP.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/api' Making include_stamp in int make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/int' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p sh_order.fh case.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/int' Making include_stamp in auxil make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/auxil' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p spcartP.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/auxil' Making include_stamp in ints_sp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/ints_sp' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/ints_sp' Making include_stamp in deriv make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/deriv' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p ../int/sh_order.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/deriv' Making include_stamp in texas make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/texas' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p screened_op.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/texas' Making include_stamp in ecp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/ecp' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p ecp_nwc.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/ecp' Making include_stamp in hondo make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/hondo' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p hnd_whermt.fh hnd_rys.fh hnd_tol.fh hnd_pointers.fh hnd_giao.fh hnd_wleg.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/hondo' Making include_stamp in rel make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/rel' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p rel_consts.fh rel_nwc.fh zora.fh modelpotential.fh x2c.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/rel' Making include_stamp in dk make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/dk' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/dk' cp -p api/int_tim.fh api/apiP.fh api/int_nbf.fh auxil/spcartP.fh hondo/hnd_whermt.fh hondo/hnd_rys.fh hondo/hnd_tol.fh ../property/prop.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/atomscf make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/atomscf' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/atomscf' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/ddscf make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ddscf' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in fast make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ddscf/fast' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ddscf/fast' cp -p schwarz.fh cscfps.fh cfock.fh cscf.fh cint2efile.fh cfockmul.fh crohf.fh cosmo.fh cuhf.fh frozemb.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ddscf' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/gradients make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/gradients' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/gradients' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/moints make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/moints' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p moints_stats.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/moints' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I./include -I./grid -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in include make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/include' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/include' Making include_stamp in input_dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/input_dft' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/input_dft' Making include_stamp in scf_dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/scf_dft' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p dftps.fh dft_fdist.fh dft_conv.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/scf_dft' Making include_stamp in scf_dft_cg make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/scf_dft_cg' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p ../../ddscf/cosmo.fh ../../ddscf/frozemb.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/scf_dft_cg' Making include_stamp in so_dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/so_dft' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/so_dft' Making include_stamp in coulomb make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/coulomb' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/coulomb' Making include_stamp in xc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/xc' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p xc.fh xc_vdw.fh xc_params.fh xc_hcth.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/xc' Making include_stamp in util make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/util' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/util' Making include_stamp in grid make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/grid' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/grid' Making include_stamp in dftgrad make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/dftgrad' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/dftgrad' Making include_stamp in lr_tddft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/lr_tddft' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/lr_tddft' Making include_stamp in lr_tddft_grad make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/lr_tddft_grad' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/lr_tddft_grad' Making include_stamp in zora make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/zora' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/zora' Making include_stamp in spec make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/spec' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/spec' Making include_stamp in rt_tddft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in matutils make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/matutils' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p matutils.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/matutils' Making include_stamp in rtutils make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/rtutils' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/rtutils' Making include_stamp in input make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/input' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/input' Making include_stamp in init make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/init' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/init' Making include_stamp in canorg make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/canorg' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/canorg' Making include_stamp in propagators make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/propagators' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/propagators' Making include_stamp in closedshell make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/closedshell' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/closedshell' Making include_stamp in openshell make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/openshell' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/openshell' cp -p ./headers/rt_tddft.fh ./headers/matutils.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft' Making include_stamp in libxc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/libxc' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I. -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p libxc.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/libxc' Making include_stamp in x2c make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/x2c' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I../../ddscf -I../grid -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/x2c' cp -p ../ddscf/cosmo.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/rimp2 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rimp2' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rimp2' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/stepper make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/stepper' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/stepper' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/driver make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/driver' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/driver' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in deloc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/deloc' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/deloc' Making include_stamp in mepgs make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/mepgs' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/mepgs' Making include_stamp in tropt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/tropt' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/tropt' Making include_stamp in neb make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/neb' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/neb' Making include_stamp in string make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/string' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/string' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/cphf make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cphf' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cphf' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/ccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ccsd' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ccsd' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/vib make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/vib' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/vib' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/mcscf make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mcscf' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../ddscf -I./detci -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in detci make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mcscf/detci' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mcscf/detci' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mcscf' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/prepar make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/prepar' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/prepar' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/esp make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/esp' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/esp' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/hessian make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/hessian' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in analytic make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/hessian/analytic' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in dft make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/hessian/analytic/dft' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../../../nwdft/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/hessian/analytic/dft' cp -p hess_info.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/hessian/analytic' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/hessian' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/selci make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/selci' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/selci' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/dplot make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dplot' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dplot' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/mp2_grad make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mp2_grad' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mp2_grad' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/qhop make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/qhop' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/qhop' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/property make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/property' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p prop.fh atomdata.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/property' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/solvation make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/solvation' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p ../property/prop.fh ../property/atomdata.fh cosmoP.fh cosmo_params.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/solvation' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies USE_OPENMP undefined USE_OPENMP undefined Making include_stamp in nwpwlib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in Parallel make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/Parallel' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p stupid_mpi4.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/Parallel' Making include_stamp in D1dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/D1dB' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/D1dB' Making include_stamp in D3dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/D3dB' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/D3dB' Making include_stamp in Pneb make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/Pneb' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/Pneb' Making include_stamp in K1dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/K1dB' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/K1dB' Making include_stamp in C1dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/C1dB' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/C1dB' Making include_stamp in C3dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/C3dB' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/C3dB' Making include_stamp in DMatrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/DMatrix' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/DMatrix' Making include_stamp in CMatrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/CMatrix' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/CMatrix' Making include_stamp in TMatrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/TMatrix' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/TMatrix' Making include_stamp in control make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/control' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/control' Making include_stamp in lattice make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/lattice' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/lattice' Making include_stamp in io make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/io' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/io' Making include_stamp in ion make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ion' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in shake make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ion/shake' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ion/shake' cp -p ../../nwpwlib/utilities/beom.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ion' Making include_stamp in pseudopotential make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/pseudopotential' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in paw_atom make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/pseudopotential/paw_atom' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/pseudopotential/paw_atom' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/pseudopotential' Making include_stamp in utilities make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/utilities' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in paw_utilities make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/utilities/paw_utilities' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/utilities/paw_utilities' cp -p bafdecls.fh btdb.fh beom.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/utilities' Making include_stamp in unitcell make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/unitcell' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/unitcell' Making include_stamp in brillouin_zone make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/brillouin_zone' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/brillouin_zone' Making include_stamp in fractional make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/fractional' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p frac_occ.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/fractional' Making include_stamp in linesearch make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/linesearch' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/linesearch' Making include_stamp in timing make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/timing' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/timing' Making include_stamp in ewald make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ewald' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ewald' Making include_stamp in thermostats make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/thermostats' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/thermostats' Making include_stamp in MetaDynamics make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/MetaDynamics' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/MetaDynamics' Making include_stamp in TAMD make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/TAMD' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/TAMD' Making include_stamp in FMM make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/FMM' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/FMM' Making include_stamp in md_xs make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/md_xs' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in FEFF6L make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/md_xs/FEFF6L' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/md_xs/FEFF6L' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/md_xs' Making include_stamp in nwpwxc make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/nwpwxc' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p nwpwxc.fh nwpwxc_param.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/nwpwxc' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib' Making include_stamp in libraryps make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/libraryps' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/libraryps' Making include_stamp in pspw make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in lib make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in psi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/psi' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/psi' Making include_stamp in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/electron' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/electron' Making include_stamp in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/ke' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/ke' Making include_stamp in coulomb make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/coulomb' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/coulomb' Making include_stamp in exchange-correlation make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/exchange-correlation' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in vdw-DF make[8]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[8]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/exchange-correlation' Making include_stamp in sic make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/sic' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/sic' Making include_stamp in hfx make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/hfx' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/hfx' Making include_stamp in ion make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/ion' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/ion' Making include_stamp in psp make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/psp' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/psp' Making include_stamp in Grsm_list make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/Grsm_list' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/Grsm_list' Making include_stamp in aorbs make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/aorbs' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/aorbs' Making include_stamp in truncating_function make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/truncating_function' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/truncating_function' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib' Making include_stamp in kbpp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/kbpp' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/kbpp' Making include_stamp in makepsi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/makepsi' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/makepsi' Making include_stamp in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cpsd' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cpsd' Making include_stamp in cgsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cgsd' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cgsd' Making include_stamp in analysis make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/analysis' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in APC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/analysis/APC' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/analysis/APC' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/analysis' Making include_stamp in cell_optimize make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cell_optimize' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cell_optimize' Making include_stamp in qmmm make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in pspw_LJ make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_LJ' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_LJ' Making include_stamp in pspw_Q make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_Q' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_Q' Making include_stamp in pspw_Pair make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_Pair' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_Pair' Making include_stamp in mmq make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/mmq' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/mmq' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm' Making include_stamp in charge make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/charge' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/charge' Making include_stamp in dplot make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/dplot' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/dplot' Making include_stamp in lcao make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lcao' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lcao' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw' Making include_stamp in paw make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in paw_geometry make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_geometry' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_geom.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_geometry' Making include_stamp in paw_ma make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ma' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_ma.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ma' Making include_stamp in paw_utils make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_utils' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p bessel_transform.fh integrate.fh paw_utils.fh paw_params.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_utils' Making include_stamp in paw_basis make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_basis' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_basis.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_basis' Making include_stamp in paw_proj make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_proj' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_proj.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_proj' Making include_stamp in paw_matrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_matrix' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_comp_charge_matrix.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_matrix' Making include_stamp in paw_ovlp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ovlp' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_ovlp_data.fh paw_ovlp.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ovlp' Making include_stamp in paw_comp_charge make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_comp_charge' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_comp_charge_data.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_comp_charge' Making include_stamp in paw_special_functions make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_special_functions' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_spher_func.fh paw_gamma_function.fh paw_hypergeom.fh paw_double_factorial.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_special_functions' Making include_stamp in paw_gaunt make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_gaunt' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_gaunt.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_gaunt' Making include_stamp in paw_kinetic make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_kinetic' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_energy_kin_atom.fh paw_matrix_kin_data.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_kinetic' Making include_stamp in paw_vloc make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_vloc' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_energy_vloc_atom.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_vloc' Making include_stamp in paw_ion_potential make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ion_potential' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_energy_ion_atom.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ion_potential' Making include_stamp in paw_core make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_core' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_energy_core_atom.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_core' Making include_stamp in paw_hartree make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_hartree' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_energy_hartree_atom.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_hartree' Making include_stamp in paw_comp_pot make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_comp_pot' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_matrix_comp_pot.fh paw_pot_comp_data.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_comp_pot' Making include_stamp in paw_mult make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_mult' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_mult_data.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_mult' Making include_stamp in paw_nonlocal make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_nonlocal' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_nonlocal' Making include_stamp in paw_density make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_density' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_density' Making include_stamp in paw_xc make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_xc' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_xc.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_xc' Making include_stamp in paw_force make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_force' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_force_data.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_force' Making include_stamp in paw_Grsm_list make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_Grsm_list' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_Grsm_list' Making include_stamp in paw_psi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_psi' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_psi' Making include_stamp in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cpsd' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cpsd' Making include_stamp in cgsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cgsd' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cgsd' Making include_stamp in cell_optimize make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cell_optimize' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cell_optimize' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw' Making include_stamp in band make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in minimizer make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/minimizer' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/minimizer' Making include_stamp in structure make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/structure' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/structure' Making include_stamp in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/cpsd' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/cpsd' Making include_stamp in cell_optimize make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/cell_optimize' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/cell_optimize' Making include_stamp in kbpp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/kbpp' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/kbpp' Making include_stamp in makepsi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/makepsi' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/makepsi' Making include_stamp in lib make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in cpsp make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/cpsp' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/cpsp' Making include_stamp in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/ke' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/ke' Making include_stamp in coulomb make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/coulomb' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/coulomb' Making include_stamp in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/electron' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/electron' Making include_stamp in psi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/psi' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/psi' Making include_stamp in hfx make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/hfx' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/hfx' Making include_stamp in Grsm_list make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/Grsm_list' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/Grsm_list' Making include_stamp in borbs make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/borbs' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/borbs' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib' Making include_stamp in dplot make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/dplot' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/dplot' Making include_stamp in analysis make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/analysis' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in APC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/analysis/APC' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/analysis/APC' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/analysis' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band' Making include_stamp in ofpw make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in minimizer make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/minimizer' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/minimizer' Making include_stamp in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/cpsd' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/cpsd' Making include_stamp in lib make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in chi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/chi' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/chi' Making include_stamp in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/electron' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/electron' Making include_stamp in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/ke' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/ke' Making include_stamp in WGC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/WGC' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/WGC' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in pfft1.0 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfft1.0' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in fftpack make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfft1.0/fftpack' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfft1.0/fftpack' Making include_stamp in pfft make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfft1.0/pfft' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfft1.0/pfft' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfft1.0' Making include_stamp in pfftwrap make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfftwrap' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfftwrap' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/python make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/python' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/include/python3.11 -I/usr/include/python3.11 -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/python' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/analyz make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/analyz' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/analyz' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwmd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwmd' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p nwmd_constants.fh md_common.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwmd' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/cafe make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cafe' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cafe' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/space make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/space' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/space' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/drdy make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/drdy' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/drdy' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/vscf make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/vscf' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/vscf' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/qmmm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/qmmm' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/qmmm' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/qmd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/qmd' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p ../util/util_params.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/qmd' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/etrans make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/etrans' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/etrans' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I./include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in include make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/include' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/include' Making include_stamp in diis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/diis' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/diis' Making include_stamp in diis2 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/diis2' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/diis2' Making include_stamp in gradients make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/gradients' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/gradients' Making include_stamp in ccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd' Making include_stamp in ccsd_lambda make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_lambda' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_lambda' Making include_stamp in eomccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsd' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsd' Making include_stamp in ccsd_t make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_t' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_t' Making include_stamp in cr-eomccsd_t make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cr-eomccsd_t' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cr-eomccsd_t' Making include_stamp in lrh make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lrh' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lrh' Making include_stamp in emb make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/emb' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/emb' Making include_stamp in ccd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccd' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccd' Making include_stamp in lccd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lccd' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lccd' Making include_stamp in lccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lccsd' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lccsd' Making include_stamp in qcisd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/qcisd' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/qcisd' Making include_stamp in cc3 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cc3' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cc3' Making include_stamp in mbpt1 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt1' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt1' Making include_stamp in mbpt2 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt2' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt2' Making include_stamp in mbpt3 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt3' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt3' Making include_stamp in mbpt4 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt4' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt4' Making include_stamp in cis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cis' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cis' Making include_stamp in cisd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisd' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisd' Making include_stamp in cisdt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisdt' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisdt' Making include_stamp in cisdtq make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisdtq' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisdtq' Making include_stamp in ccsd_act make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_act' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_act' Making include_stamp in eomccsd_act make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsd_act' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsd_act' Making include_stamp in cr_eomccsd_t_act make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cr_eomccsd_t_act' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cr_eomccsd_t_act' Making include_stamp in sort make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/sort' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/sort' Making include_stamp in ducc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ducc' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ducc' Making include_stamp in ucc4 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ucc4' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ucc4' Making include_stamp in eaccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eaccsd' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eaccsd' Making include_stamp in ipccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ipccsd' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ipccsd' Making include_stamp in ccsdt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsdt' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsdt' Making include_stamp in ccsdt_lambda make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsdt_lambda' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsdt_lambda' Making include_stamp in eomccsdt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsdt' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsdt' Making include_stamp in ccsd_alpha make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_alpha' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_alpha' Making include_stamp in ccsd_beta make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_beta' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_beta' Making include_stamp in ccsd_yr make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_yr' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_yr' Making include_stamp in response make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/response' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/response' Making include_stamp in mrcc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../include -I./include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in include make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/include' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/include' Making include_stamp in ccsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../../include -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd' Making include_stamp in ccsd_sub make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd_sub' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../../include -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd_sub' Making include_stamp in ccsd_t make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd_t' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../../include -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd_t' Making include_stamp in uss make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/uss' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../../include -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/uss' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/bq make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/bq' make[4]: 'include_stamp' is up to date. make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/bq' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/mm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mm' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p mm.fh mm_params.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mm' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/cons make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cons' make[4]: 'include_stamp' is up to date. make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cons' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/perfm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/perfm' make[4]: 'include_stamp' is up to date. make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/perfm' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/dntmc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dntmc' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dntmc' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/dangchang make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dangchang' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dangchang' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/ccca make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ccca' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../basis -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ccca' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/dimqm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dimqm' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I../util -I../nwdft/grid -I../NWints/hondo -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p dimqm.fh dimqm_constants.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dimqm' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/fcidump make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fcidump' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fcidump' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/gwmol make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/gwmol' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I./ -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p ../nwdft/include/cdft.fh ../nwdft/grid/cgridfile.fh /build/reproducible-path/nwchem-7.2.2/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/gwmol' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-mpich/src/64to32blas make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:300: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:300: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:300: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:300: warning: ignoring old recipe for target '32_to_64' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:300: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:300: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:300: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:300: warning: ignoring old recipe for target '32_to_64' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/64to32blas' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/include' Making libraries in basis make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/basis' Compiling basis.F... Compiling bas_input.F... Compiling bas_contrib.F... Compiling bas_checksum.F... bas_checksum.F:45:43: 44 | call checksum_update(ltob, bas_spherical(basis)) | 2 45 | call checksum_update(itob*ndbs_head, infbs_head(1,basis)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). basis.F:2081:62: 2057 | status = status .and. rtdb_put(rtdb,tmp,mt_int,1,ntagsin) | 2 ...... 2081 | status = status .and. rtdb_put(rtdb,tmp,mt_dbl,nexcf,excfin(1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). basis.F:1125:39: 1125 | & rtdb, tmp, mt_dbl, nexcf, dbl_mb(mb_exndcf(1,basis))) | 1 ...... 2722 | if (rtdb_get(rtdb, 'basis:nbasis', MT_INT, 1, nbasis_rtdb)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling basisP.F... Compiling bas_blas.F... basisP.F:427:72: 427 | end | ^ Warning: '__result_nbf_from_ucont' may be used uninitialized [-Wmaybe-uninitialized] basisP.F:380:37: 380 | integer function nbf_from_ucont(ucont,basisin) | ^ note: '__result_nbf_from_ucont' was declared here Compiling bas_blasP.F... Compiling bas_vec_info.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/basis' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a basis.o bas_input.o bas_contrib.o bas_checksum.o basisP.o bas_blas.o bas_blasP.o bas_vec_info.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/basis' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/basis' Making libraries in geom make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/geom' Compiling geom.F... Compiling geom_input.F... Compiling geom_input2.F... Compiling geom_3d.F... geom_input.F:361:57: 249 | if (.not. rtdb_put(rtdb, 'prop:ofinite',mt_log,1,ofinite)) | 2 ...... 361 | if (.not.rtdb_put(rtdb,'geom:istart',MT_INT,1,istart)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). geom_input.F:746:11: 706 | if (rtdb_get(rtdb, 'qcharge', MT_DBL, 1, qcharge)) then | 2 ...... 746 | D dont_verifygeom)) dont_verifygeom=.false. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). geom.F:1105:11: 1101 | s = s .and. rtdb_put(rtdb, tmp, mt_int, 1, ncenter(geom)) | 2 ...... 1105 | $ coords(1,1,geom)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). geom.F:602:11: 357 | if (rtdb_get(rtdb, 'geometry:ngeom', mt_int, 1, ngeom_rtdb)) | 2 ...... 602 | $ coords(1,1,geom)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). geom.F:2406:30: 2406 | geom_isbq = inp_compare(0,tag,'bq') | 1 ...... 3409 | if (inp_compare(.false.,buf(1:4),elements(ind)(1:4))) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling geom_2d.F... Compiling geom_1d.F... Compiling geom_numcore.F... geom_numcore.F:106:51: 99 | if(rtdb_get(rtdb, key, mt_int, 1, num_elem)) then | 2 ...... 106 | if(rtdb_get(rtdb, key, mt_int, num_elem, tagfrz)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) geom_numcore.F:111:54: 99 | if(rtdb_get(rtdb, key, mt_int, 1, num_elem)) then | 2 ...... 111 | if(rtdb_get(rtdb, key, mt_int, num_elem, numfrz)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling geom_checksum.F... geom_input.F:4586:12: 4586 | IF(ATOMIC) WRITE(IW,*) 'THIS IS AN ATOM' | ^ Warning: 'atomic' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:4448:24: 4448 | LOGICAL ATOMIC | ^ note: 'atomic' was declared here geom_input.F:4587:12: 4587 | IF(LINEAR) WRITE(IW,*) 'THIS IS A LINEAR MOLECULE' | ^ Warning: 'linear' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:4449:24: 4449 | LOGICAL LINEAR | ^ note: 'linear' was declared here geom_input.F:4483:25: 4483 | integer kaxis,jaxis,isteps,istep,iordr,iaxis | ^ Warning: 'jaxis' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:5155:72: 5155 | DZ=C2(K,IAT)-C2(K,JAT) | ^ Warning: 'k' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:4482:19: 4482 | integer kat,k,JJC4,JJS4,jjc2,j,i | ^ note: 'k' was declared here Compiling geom_print_ecce.F... Compiling geom_freeze.F... geom_freeze.F:54:49: 50 | if (rtdb_get(rtdb, a_name , MT_LOG, 1, status)) then | 2 ...... 54 | else if (rtdb_get(rtdb, c_name, MT_INT, 1, ncore)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling geom_fragment.F... Compiling geom_getsym.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/geom' geom_getsym.F:87:16: 87 | if (ncenter_before_auto .gt. ncenter) call errquit | ^ Warning: 'ncenter_before_auto' may be used uninitialized [-Wmaybe-uninitialized] geom_getsym.F:27:33: 27 | integer ncenter_before_auto | ^ note: 'ncenter_before_auto' was declared here geom_input.F:4125:72: 4125 | return | ^ Warning: '__result_geom_lst_get_coord' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:4058:41: 4058 | logical function geom_lst_get_coord(x,y,z,n,irc) | ^ note: '__result_geom_lst_get_coord' was declared here geom_input.F:2866:72: 2866 | gamma = sign(gamma,aijkl) | ^ Warning: 'aijkl' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:2751:39: 2751 | double precision rij, aijk, aijkl, angs_to_au, pi, deg_to_rad | ^ note: 'aijkl' was declared here geom_input.F:2902:72: 2902 | alpha = (cos(aijl) - d*cos(aijk)) / (1d0-d*d) | ^ Warning: 'aijl' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:2753:54: 2753 | double precision dkj, dkl, djk, djl, dklkj, aijl, djkl | ^ note: 'aijl' was declared here geom_input.F:2750:44: 2750 | integer iadd, itype, izvar, i, j, k, l, ind, iat, orient | ^ Warning: 'l' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:2906:16: 2906 | if (orient .lt. 0) gamma = -gamma | ^ Warning: 'orient' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:2750:62: 2750 | integer iadd, itype, izvar, i, j, k, l, ind, iat, orient | ^ note: 'orient' was declared here geom_input.F:6722:72: 6722 | BETA=PT5*ALPH | ^ Warning: 'alph' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:6281:38: 6281 | double precision beta,alpha,alph | ^ note: 'alph' was declared here geom_input.F:6282:34: 6282 | integer n1,n2,n,itr,it,nn,ii | ^ Warning: 'ii' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:7080:10: 7080 | if (err .gt. err1) then | ^ Warning: 'err1' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:6954:27: 6954 | double precision err1, xmax, xmax1 | ^ note: 'err1' was declared here geom_input.F:7083:72: 7083 | call sym_geom_project(geom, max(0.1d0*xmax1,1d-6)) | ^ Warning: 'xmax1' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:6954:40: 6954 | double precision err1, xmax, xmax1 | ^ note: 'xmax1' was declared here Compiling geom_hnd.F... geom_hnd.F:4628:12: 4627 | 120 DO 260 NR=1,N2 | 2 4628 | IK=IA(NR+1)+NR | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) geom_hnd.F:5062:40: 5062 | 20 if (parallel) call ga_brdcst(323, status, | 1 ...... 5141 | if (parallel) call ga_brdcst(32, a, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/geom' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/geom' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a geom.o geom_input.o geom_input2.o geom_3d.o geom_2d.o geom_1d.o geom_numcore.o geom_checksum.o geom_print_ecce.o geom_freeze.o geom_fragment.o geom_getsym.o geom_hnd.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/geom' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/geom' Making libraries in inp make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/inp' Compiling c_inp.c... Compiling hnd_rdfree.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/inp' Compiling inp.F... inp.F:27:19: 27 | data xback /'\\'/ ! Backslash ... note backslash for cpp | 1 Warning: Initialization string at (1) was truncated to fit the variable (1/2) inp.F:1370:37: 1369 | do i = 1, 3*max_width+80+6 | 2 1370 | csave(i,save_level) = cdata(i) | 1 Warning: Array reference at (1) out of bounds (3158 > 1) in loop beginning at (2) inp.F:1373:37: 1372 | do i = 1, 9+4*max_field | 2 1373 | isave(i,save_level) = idata(i) | 1 Warning: Array reference at (1) out of bounds (2061 > 1) in loop beginning at (2) inp.F:1407:15: 1406 | do i = 1, 3*max_width+80+6 | 2 1407 | cdata(i) = csave(i,save_level) | 1 Warning: Array reference at (1) out of bounds (3158 > 1) in loop beginning at (2) inp.F:1410:15: 1409 | do i = 1, 9+4*max_field | 2 1410 | idata(i) = isave(i,save_level) | 1 Warning: Array reference at (1) out of bounds (2061 > 1) in loop beginning at (2) Compiling inp_irange.F... Compiling inp_ilist.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/inp' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/inp' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a c_inp.o hnd_rdfree.o inp.o inp_irange.o inp_ilist.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/inp' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/inp' Making libraries in input make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/input' Compiling input_parse.F... Compiling input_mem.F... input_mem.F:66:33: 63 | call brdcst(Msg_HeapMem, heap_size, mitob1, 0) | 2 ...... 66 | call brdcst(Msg_StkMem, overify, mitob1, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling memory_input.F... Compiling input_set.F... input_set.F:173:12: 170 | $ int_mb(i_values)) | 2 ...... 173 | $ dbl_mb(i_values)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). input_set.F:153:21: 153 | if (.not. status) call errquit | ^ Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] input_set.F:17:20: 17 | logical status ! accumulates return codes | ^ note: 'status' was declared here Compiling input_title.F... Compiling get_inp_file.F... Compiling memory_def.F... Compiling speech_input.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/input' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwctask.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwctask.a input_parse.o input_mem.o memory_input.o input_set.o input_title.o get_inp_file.o memory_def.o speech_input.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwctask.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwctask.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwctask.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/input' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/input' Making libraries in pstat make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/pstat' Compiling pstat_init.F... Compiling pstat_term.F... Compiling pstat_alloc.F... Compiling pstat_on.F... Compiling pstat_off.F... Compiling pstat_pr_all.F... Compiling pstat_free.F... Compiling pstat_pr_han.F... Compiling pstat_pr_det.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/pstat' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a pstat_init.o pstat_term.o pstat_alloc.o pstat_on.o pstat_off.o pstat_pr_all.o pstat_free.o pstat_pr_han.o pstat_pr_det.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/pstat' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/pstat' Making libraries in rtdb make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rtdb' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rtdb' Making all in hdbm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rtdb/hdbm' Compiling rtdb_f2c.c... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rtdb/hdbm' Compiling rtdb.c... rtdb.c: In function 'rtdb_broadcast': rtdb.c:91:11: warning: unused variable 'type' [-Wunused-variable] 91 | Integer type = msg_type; | ^~~~ rtdb.c: At top level: rtdb.c:179:25: warning: argument 2 of type 'char *' declared as a pointer [-Warray-parameter=] 179 | char* fname) | ~~~~~~^~~~~ In file included from rtdb.c:4: rtdb.h:145:38: note: previously declared as an array 'char[36]' 145 | extern int rtdb_getfname(const int, char [36]); | ^~~~~~~~~ rtdb.c: In function 'rtdb_getfname': rtdb.c:219:10: warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] 219 | return status; | ^~~~~~ rtdb.c:181:7: note: 'status' declared here 181 | int status; | ^~~~~~ rtdb.c: In function 'rtdb_get': rtdb.c:376:10: warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] 376 | return status; | ^~~~~~ rtdb.c:337:7: note: 'status' declared here 337 | int status; | ^~~~~~ rtdb.c: In function 'rtdb_get_info': rtdb.c:419:10: warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] 419 | return status; | ^~~~~~ rtdb.c:382:7: note: 'status' declared here 382 | int status; | ^~~~~~ rtdb.c: In function 'rtdb_ma_get': rtdb.c:500:10: warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] 500 | return status; | ^~~~~~ rtdb.c:442:7: note: 'status' declared here 442 | int status; | ^~~~~~ Compiling rtdb_seq.c... rtdb.c: In function 'rtdb_first': rtdb.c:543:10: warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] 543 | return status; | ^~~~~~ rtdb.c:505:7: note: 'status' declared here 505 | int status; | ^~~~~~ rtdb.c: In function 'rtdb_next': rtdb.c:587:10: warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] 587 | return status; | ^~~~~~ rtdb.c:548:7: note: 'status' declared here 548 | int status; | ^~~~~~ rtdb_seq.c: In function 'ma_print': rtdb_seq.c:137:33: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 137 | nprint += fprintf(file, "%d ", ((Integer *) p)[i]); | ~^ ~~~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld rtdb_seq.c: At top level: rtdb_seq.c:1192:25: warning: argument 2 of type 'char *' declared as a pointer [-Warray-parameter=] 1192 | char* fname) | ~~~~~~^~~~~ In file included from rtdb_seq.c:42: rtdb.h:166:42: note: previously declared as an array 'char[36]' 166 | extern int rtdb_seq_getfname(const int, char [36]); | ^~~~~~~~~ Compiling context.c... context.c:135:13: warning: 'context_print' defined but not used [-Wunused-function] 135 | static void context_print() | ^~~~~~~~~~~~~ Compiling context_f2c.c... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rtdb' Compiling hdbm.c... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rtdb/hdbm' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rtdb/hdbm' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a hdbm.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rtdb/hdbm' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rtdb/hdbm' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rtdb' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a rtdb_f2c.o rtdb.o rtdb_seq.o context.o context_f2c.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rtdb' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rtdb' Making libraries in task make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/task' Compiling task_energy.F... task_energy.F:284:59: 281 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 284 | if (.not.rtdb_get(rtdb,'dft:which_mp2',mt_int,1,which_mp2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_energy.F:68:57: 68 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 1 ...... 467 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_energy.F:151:57: 151 | if (.not. rtdb_put(rtdb, 'task:energy', mt_dbl, 1, energy)) | 1 ...... 467 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_energy.F:160:58: 160 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 ...... 467 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_energy.F:163:59: 163 | if (.not. rtdb_put(rtdb, 'task:walltime', mt_dbl, 1, wall)) | 1 ...... 467 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling task_gradient.F... task_gradient.F:560:50: 320 | $ numerical)) numerical = .false. | 2 ...... 560 | if (.not. rtdb_get(rtdb, key, mt_dbl, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). task_gradient.F:66:57: 66 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 1 ...... 567 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl,3,dipole(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling task_optimize.F... task_optimize.F:160:63: 123 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 160 | if (.not. rtdb_put(rtdb,'driver:modsad',mt_int, 1, 0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling task_freq.F... task_freq.F:131:58: 63 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 131 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_hessian.F... task_hessian.F:246:53: 180 | if (.not. rtdb_get(rtdb,'bsse',mt_log,1,task_bsse)) | 2 ...... 246 | if (.not.rtdb_get(rtdb,'xtb:verb',mt_int,1,verb)) verb=1 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_hessian.F:247:53: 184 | if (.not. rtdb_put(rtdb,'bsse',mt_log,1,.false.)) | 2 ...... 247 | if (.not.rtdb_put(rtdb,'xtb:verb',mt_int,1,0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_hessian.F:302:72: 302 | end | ^ Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] task_hessian.F:166:20: 166 | logical status, ignore, numerical, analytic | ^ note: 'status' was declared here Compiling task_dynamics.F... task_dynamics.F:94:61: 68 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 94 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_thermo.F... task_thermo.F:80:61: 59 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 80 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_et.F... task_et.F:46:57: 40 | if (.not. rtdb_put(rtdb, 'task:et', mt_dbl, 1, Vba)) | 2 ...... 46 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, status)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling task_save_state.F... Compiling task.F... task.F:180:50: 180 | if (rtdb_get(rtdb, 'task:debug', mt_log, 1, odebug)) | 1 ...... 582 | if (.not.rtdb_get(rtdb,'task:shell range',mt_int,3,range)) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling task_input.F... Compiling task_shell_input.F... Compiling task_num_grad.F... task_num_grad.F:285:52: 185 | if (.not.rtdb_get(rtdb,'gradient:usegroups',MT_LOG,1,use_groups)) | 2 ...... 285 | if (.not. rtdb_get(rtdb, ename, mt_dbl, 1, eref)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). task_num_grad.F:506:58: 467 | if (.not. rtdb_put(rtdb, gname, mt_dbl, natoms3, dbl_mb(k_grad))) | 2 ...... 506 | if (.not. rtdb_put(rtdb,'scf:converged',mt_log,1,.false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling task_vscf.F... task_vscf.F:98:52: 72 | if (.not. rtdb_get(rtdb,'vscf:freq_done',mt_log,1,freq_done)) | 2 ...... 98 | if (.not. rtdb_get(rtdb,'vscf:ngrid',mt_int,1,ngrid)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_vscf.F:156:58: 58 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 156 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_property.F... Compiling task_dntmc.F... task_dntmc.F:77:61: 61 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 77 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_bsse.F... task_bsse.F:452:51: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 452 | if (.not. rtdb_put(rtdb,'charge',mt_dbl,1,charge)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). task_bsse.F:587:49: 424 | if (.not. rtdb_get(rtdb,'bsse:first_j',mt_log,1,first_j)) | 2 ...... 587 | if (.not.rtdb_get( rtdb, ctmp, mt_int, 1, natoms)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_bsse.F:550:53: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 550 | if (.not. rtdb_put( rtdb, ctmp, mt_int, nmon, mon_atm )) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_bsse.F:554:62: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 554 | if (.not. rtdb_put( rtdb, ctmp, mt_int,mx_atm*mx_atm, mon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) task_bsse.F:562:53: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 562 | if (.not. rtdb_put( rtdb, ctmp, mt_int ,nmon, mmon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling task_jefftce.F... Compiling task_ncc.F... Compiling task_rfcf.F... task_rfcf.F:117:61: 80 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 117 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). task_bsse.F:1586:72: 1586 | & j_mon_name(1:lenname) | ^ Warning: 'lenhess' may be used uninitialized [-Wmaybe-uninitialized] task_bsse.F:1419:21: 1419 | integer lenhess | ^ note: 'lenhess' was declared here Compiling task_gwmol.F... task_gwmol.F:82:53: 74 | if (rtdb_get(rtdb, 'dft:rodft', mt_log, 1, rodft)) | 2 ...... 82 | if (.not.rtdb_get(rtdb, 'dft:ipol', mt_int, 1, ipol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_gwmol.F:131:58: 41 | if (.not. rtdb_put( rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 131 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cputime)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/task' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwctask.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwctask.a task_energy.o task_gradient.o task_optimize.o task_freq.o task_hessian.o task_dynamics.o task_thermo.o task_et.o task_save_state.o task.o task_input.o task_shell_input.o task_num_grad.o task_vscf.o task_property.o task_dntmc.o task_bsse.o task_jefftce.o task_ncc.o task_rfcf.o task_gwmol.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwctask.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwctask.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/task' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/task' Making libraries in symmetry make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/symmetry' Compiling dosymops.F... Compiling gensym.f... gensym.f:314:13: 314 | isym=nops*3 | ^ Warning: 'isym' may be used uninitialized [-Wmaybe-uninitialized] Compiling gensym_extra.F... gensym_extra.F:59:10: 59 | if (lgth.gt.0) then | ^ Warning: 'lgth' is used uninitialized [-Wuninitialized] gensym_extra.F:32:22: 32 | integer iop,lgth,unitf,print_level,i,j | ^ note: 'lgth' was declared here Compiling sym_vec_sym.F... sym_vec_sym.F:99:36: 99 | integer isphcart, i_nbf_per_sh | ^ Warning: 'i_nbf_per_sh' may be used uninitialized [-Wmaybe-uninitialized] Compiling ludcmp.F... Compiling mprint.f... Compiling opprint.f... Compiling sym_put_geom.F... Compiling spgen.F... Compiling sym_map.F... Compiling sym_nwc.F... Compiling sym_apply_op.F... Compiling sym_get_cart.F... Compiling sym_grp_name.F... Compiling sym_ap_cart.F... Compiling sym_cent_map.F... Compiling sym_num_ops.F... Compiling sym_ops_get.F... Compiling sym_op_get.F... Compiling sym_pr_all.F... Compiling sym_geom_prj.F... Compiling cross_prod.F... Compiling sym_op_cname.F... Compiling sym_pr_ops.F... Compiling deter3.F... Compiling sym_op_clsfy.F... Compiling sym_tr_bs_op.F... Compiling sym_bs_irrep.F... sym_bs_irrep.F:165:72: 165 | n = n + nbf_per_ir(ir) | ^ Warning: 'itrace' may be used uninitialized [-Wmaybe-uninitialized] sym_bs_irrep.F:25:35: 25 | integer class, op, ir, itrace, i | ^ note: 'itrace' was declared here Compiling sym_op_type.F... Compiling sym_char_tab.F... Compiling sym_pr_ctab.F... Compiling sym_inv_op.F... Compiling sym_mo_adapt.F... sym_mo_adapt.F:324:30: 323 | call ga_igop(msg_sym_1, nmixed, 1, '+') | 2 324 | call ga_igop(msg_sym_2, irs, nvec, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling sym_g_sym.F... Compiling wrcell.F... Compiling dctr.f... Compiling sym_irrepname.F... Compiling sym_abelian.F... Compiling sym_mol.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/symmetry' Compiling sym_sym.F... Compiling sym_mo_ap_op.F... Compiling sym_bas_op.F... Compiling sym_bs_ir_id.F... Compiling sym_sh_pair.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/symmetry' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/symmetry' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a dosymops.o gensym.o gensym_extra.o sym_vec_sym.o ludcmp.o mprint.o opprint.o sym_put_geom.o spgen.o sym_map.o sym_nwc.o sym_apply_op.o sym_get_cart.o sym_grp_name.o sym_ap_cart.o sym_cent_map.o sym_num_ops.o sym_ops_get.o sym_op_get.o sym_pr_all.o sym_geom_prj.o cross_prod.o sym_op_cname.o sym_pr_ops.o deter3.o sym_op_clsfy.o sym_tr_bs_op.o sym_bs_irrep.o sym_op_type.o sym_char_tab.o sym_pr_ctab.o sym_inv_op.o sym_mo_adapt.o sym_g_sym.o wrcell.o dctr.o sym_irrepname.o sym_abelian.o sym_mol.o sym_sym.o sym_mo_ap_op.o sym_bas_op.o sym_bs_ir_id.o sym_sh_pair.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/symmetry' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/symmetry' Making libraries in util make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/util' Compiling output.f... Compiling errquit.F... Compiling ffflush.F... Compiling print_center.F... Compiling util_flush.F... Compiling util_sgroup.F... util_sgroup.F:168:54: 166 | if(.not.rtdb_put(rtdb,'dft:largenode',mt_log,1,.true.)) | 2 167 | & call errquit('util_sggo: rtdb_put nodisk failed',1,RTDB_ERR) 168 | if (.not. rtdb_put(rtdb, 'dft:noio', mt_int, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling util_host.c... Compiling util_date.c... Compiling input_echo.F... Compiling util_transpose.F... Compiling ga_iter_diag.F... ga_iter_diag.F:377:72: 377 | end | ^ Warning: 'converged' may be used uninitialized [-Wmaybe-uninitialized] ga_iter_diag.F:83:23: 83 | logical converged | ^ note: 'converged' was declared here Compiling ga_maxelt.F... Compiling nga_idamax.F... Compiling ga_pcg_min.F... Compiling line_search.F... Compiling ga_orth_vec.F... Compiling ga_ran_fill.F... ga_ran_fill.F:40:53: 35 | call ga_put(g_a, ibot, itop, j, j, buf, bufsiz) | 2 ...... 40 | call ga_put(g_a, ibot, itop, j, j, zbuf, bufsiz) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling ga_mix.F... Compiling ga_list.F... Compiling ga_it_proj.F... Compiling ga_screen.F... Compiling ga_get_diag.F... Compiling fortchar.c... fortchar.c: In function 'fcrcv_': fortchar.c:125:47: warning: array subscript 256 is above array bounds of 'char[256]' [-Warray-bounds=] 125 | } while ( clength == lenbuf && cstring[clength] != '\0'); | ~~~~~~~^~~~~~~~~ fortchar.c:106:10: note: while referencing 'cstring' 106 | char cstring[FC_MAXLEN]; | ^~~~~~~ Compiling seq_output.F... Compiling ga_mat2col.F... Compiling util_ch_brd.F... util_ch_brd.F:35:42: 31 | call ga_brdcst(type, ls, mitob1, origin) | 2 ...... 35 | if (ls .gt. 0) call ga_brdcst(type, c, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling two_ind_trn.F... Compiling util_pname.F... Compiling sread.F... Compiling swrite.F... swrite.F:17:62: 17 | if (left.ne.0) call errquit('swrite: left .ne. 0',left, DISK_ERR) | 1 ...... 25 | 20 call errquit('sswrit: error writing to unit ', itape, DISK_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(4)). Compiling banner.f... Compiling util_print.F... cp util_v_stub.F util_version.F Compiling util_module_avail.F... Compiling util_nwchem_version.F... Compiling util_ga_version.F... Compiling util_nwchem_paper.F... Compiling util_nwchem_srcdir.F... Compiling utilc_nwchem_srcdir.c... Compiling mk_fit_xf.F... mk_fit_xf.F:95:10: 95 | If (Type .eq. 1) then | ^ Warning: 'type' may be used uninitialized [-Wmaybe-uninitialized] mk_fit_xf.F:62:23: 62 | Integer NBF, Type, G_Tmp, G_S | ^ note: 'type' was declared here mk_fit_xf.F:206:23: 206 | If (DoSplit .AND. Type .eq. 1) then | ^ Warning: 'dosplit' may be used uninitialized [-Wmaybe-uninitialized] mk_fit_xf.F:61:29: 61 | Logical Status, DoSplit | ^ note: 'dosplit' was declared here Compiling int_2c_ga.F... Compiling ma_solve.F... Compiling ga_local_mdot.F... ga_local_mdot.F:148:36: 63 | call dfill(nva*nvb, 0.0d0, dbl_mb(k_work), 1) | 2 ...... 148 | call dfill(nva*nvb, 0.0d0, dcpl_mb(k_work), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling util_cpusec.F... Compiling util_wallsec.F... Compiling gather.f... Compiling scatter.f... Compiling ga_trace_dg.F... Compiling lcopy.f... Compiling util_legal.F... util_legal.F:335:16: 335 | do while (next_line(ibegin,iend,ilen,',',newchr(1:len_newchr))) | ^ Warning: 'len_newchr' may be used uninitialized [-Wmaybe-uninitialized] util_legal.F:316:24: 316 | integer len_newchr | ^ note: 'len_newchr' was declared here Compiling util_file_name.F... Compiling util_io_unit.F... Compiling util_speak.c... Compiling util_rtdb_speak.F... Compiling util_file_copy.c... util_file_copy.c: In function 'util_file_parallel_copy': util_file_copy.c:86:34: warning: unused variable 'msgbuf' [-Wunused-variable] 86 | Integer nread, msgnread=44,msgbuf=45,msglen=sizeof(Integer),node0=0; | ^~~~~~ util_file_copy.c:86:22: warning: unused variable 'msgnread' [-Wunused-variable] 86 | Integer nread, msgnread=44,msgbuf=45,msglen=sizeof(Integer),node0=0; | ^~~~~~~~ Compiling util_file_unlink.c... Compiling util_system.c... util_system.c: In function 'util_system_': util_system.c:40:16: warning: unused variable 'Siginit' [-Wunused-variable] 40 | void (*Siginit)(); | ^~~~~~~ util_system.c:39:9: warning: unused variable 'i' [-Wunused-variable] 39 | int i; | ^ Compiling util_sleep.c... Compiling util_rtdb_state.F... Compiling ecce_print.c... Compiling util_random.F... Compiling util_job.F... Compiling util_getenv.F... Compiling util_getarg.F... Compiling util_nwchemrc.F... Compiling util_md.F... util_md.F:118:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 118 | if(lpara) call ga_dgop(mag_d09,rms0,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) util_md.F:184:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 184 | if(lpara) call ga_dgop(mag_d11,rms1,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) util_md.F:257:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 257 | if(lpara) call ga_dgop(mag_d09,rms0,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) util_md.F:323:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 323 | if(lpara) call ga_dgop(mag_d11,rms1,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling util_md_c.c... Compiling util_md_sockets.c... Compiling dgewr.F... Compiling atoi.F... Compiling indint.F... Compiling util_wall_remain.c... util_md.F:852:72: 852 | b=a(i,k) | ^ Warning: 'i' may be used uninitialized [-Wmaybe-uninitialized] util_md.F:824:20: 824 | integer idim,i,j,k,l,m | ^ note: 'i' was declared here util_md.F:852:72: 852 | b=a(i,k) | ^ Warning: 'k' may be used uninitialized [-Wmaybe-uninitialized] util_md.F:824:24: 824 | integer idim,i,j,k,l,m | ^ note: 'k' was declared here Compiling ga_normf.F... Compiling corr_mk_ref.F... corr_mk_ref.F:384:14: 156 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 384 | $ NFrzVir) ) Then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling nw_inp_from_file.F... nw_inp_from_file.F:46:72: 46 | end | ^ Warning: '__result_nw_inp_from_characte' may be used uninitialized [-Wmaybe-uninitialized] nw_inp_from_file.F:1:44: 1 | logical function nw_inp_from_character(rtdb, string) | ^ note: '__result_nw_inp_from_characte' was declared here Compiling bgj.F... bgj.F:399:60: 69 | & 1, itype)) then | 2 ...... 399 | if(.not.rtdb_get(bgj_rtdb,'dft:dontcare',mt_log, 1,dontcare)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling movecs_ecce.F... movecs_ecce.F:122:38: 120 | call ecce_print1(ceval, mt_dbl, eval, nmo) | 2 121 | call ecce_print1(cocc, mt_dbl, occ, nmo) 122 | call ecce_print1(csym, mt_int, sym, nmo) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling get_density.F... Compiling moeig_read.F... moeig_read.F:69:45: 67 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, mitob1, 0) ! Propagate status | 2 68 | if (ok .eq. 1) then 69 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling util_debug.c... Compiling util_erf.F... Compiling util_cflush.c... Compiling util_ascii_plot.F... Compiling util_length_scale.F... Compiling ga_it2.F... Compiling ga_lkain_ext.F... ga_it2.F:969:55: 966 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, a, maxmaxsub) | 2 ...... 969 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, za, maxmaxsub) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:993:51: 987 | $ call ga_get(g_c, 1, nsub-1, 1, 1, c, 1) | 2 ...... 993 | $ call ga_get(g_c, 1, nsub-1, 1, 1, zc, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:994:32: 988 | call ga_brdcst(1, c, mdtob_nsub1, 0) | 2 ...... 994 | call ga_brdcst(1, zc, 2*mdtob_nsub1, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:1022:36: 1009 | call ga_add_patch( c(isub), g_y, 1, n, isub, isub, | 2 ...... 1022 | call ga_add_patch( zc(isub), g_y, 1, n, isub, isub, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:1039:35: 923 | call ga_scale(g_delta, mone) | 2 ...... 1039 | call ga_scale(g_delta, trust/rmax) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_it2.F:124:53: 124 | call ga_get(g_x, i, i, ivec, ivec, x, 1) | 1 ...... 987 | $ call ga_get(g_c, 1, nsub-1, 1, 1, c, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ga_it2.F:126:53: 126 | call ga_put(g_x, i, i, ivec, ivec, x, 1) | 1 ...... 966 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, a, maxmaxsub) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ga_it2.F:1286:55: 472 | if (.not.rtdb_get(rtdb,'cphf:acc',mt_dbl,1,acc)) acc=1d-4*tol | 2 ...... 1286 | if (.not.rtdb_get(rtdb,'solver:restart',mt_int,1,restr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). ga_it2.F:189:41: 189 | call ga_put(g_a, i, i, i, i, 0.5*dble(i), 1) | 1 ...... 966 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, a, maxmaxsub) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ga_it2.F:1324:60: 596 | if (.not. rtdb_put(rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 1324 | if (.not. rtdb_put(rtdb, 'solver:restart', MT_int, 1, restr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling ma_print.F... Compiling freeze_input.F... freeze_input.F:83:51: 59 | if (.not. rtdb_put(rtdb, key, mt_log, 1, .true.)) | 2 ...... 83 | if(.not. rtdb_put(rtdb, key, mt_int, 1, num_elem)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ga_extra.F... ga_extra.F:52:47: 44 | call ga_get(g_a, i, i, j, j, number, 1) | 2 ...... 52 | call ga_get(g_a, i, i, j, j, znumber, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_extra.F:54:46: 46 | call ga_put(g_a,i, i, j, j, number, 1) | 2 ...... 54 | call ga_put(g_a,i, i, j, j, znumber, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling util_test.F... Compiling util_ga_test.F... util_ga_test.F:1198:35: 1198 | call ga_get(g_a, 1, n, 1, n, b, n) | 1 ...... 1560 | call ga_get(g_a, 1, n, 1, n, b, n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(4)). util_ga_test.F:1232:52: 1232 | call ga_put(g_a, ilo, ihi, jlo, jhi, a(ilo, jlo), n) | 1 ...... 1594 | call ga_put(g_a, ilo, ihi, jlo, jhi, a(ilo, jlo), n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(4)). util_ga_test.F:891:52: 891 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 1 ...... 1700 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:891:68: 891 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 1 ...... 1700 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:975:25: 975 | call ga_scale(g_a, factor) | 1 ...... 1818 | call ga_scale(g_a, 0.123) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1012:29: 1012 | call ga_gather(g_a, v, iv, jv, m) | 1 ...... 1870 | call ga_gather(g_a, v, iv, jv, m) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1044:30: 1044 | call ga_scatter(g_a, v, iv, jv, m) | 1 ...... 1903 | call ga_scatter(g_a, v, iv, jv, m) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1078:18: 1078 | call ga_add((0.1d0,-.1d0), g_a, (0.9d0,-.9d0), g_b, g_b) | 1 ...... 1771 | call ga_add(0.1, g_a, 0.9, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1078:38: 1078 | call ga_add((0.1d0,-.1d0), g_a, (0.9d0,-.9d0), g_b, g_b) | 1 ...... 1771 | call ga_add(0.1, g_a, 0.9, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). Compiling util.c... Compiling util_patch_test.F... util_patch_test.F:626:42: 626 | call ga_fill_patch(g_a, 2,n/2, 2,n, val) | 1 ...... 1115 | call ga_fill_patch(g_a, 2,n/2, 2,n, val) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:629:38: 629 | call ga_get(g_a, 1,n/2, j,j, buf,n/2) | 1 ...... 1118 | call ga_get(g_a, 1,n/2, j,j, buf,n/2) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:649:33: 649 | call ga_put(g_a,1,n,j,j,a(1,j),n) | 1 ...... 1138 | call ga_put(g_a,1,n,j,j,a(1,j),n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:785:60: 785 | call ga_scale_patch(g_b, bilo,bilo+n/2,bjlo, bjlo+n/3,val) | 1 ...... 1275 | call ga_scale_patch(g_b, bilo,bilo+n/2,bjlo, bjlo+n/3,val) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:821:24: 821 | call ga_add_patch(alpha, g_a, ailo,ailo+n/2, ajlo, ajlo+n/3, | 1 ...... 1312 | call ga_add_patch(alpha, g_a, ailo,ailo+n/2, ajlo, ajlo+n/3, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:822:25: 822 | $ beta, g_b, bilo,bilo+n/2, bjlo, bjlo+n/3, | 1 ...... 1313 | $ beta, g_b, bilo,bilo+n/2, bjlo, bjlo+n/3, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:403:36: 403 | call ga_matmul_patch('n','n', 1d0, 0d0, | 1 ...... 890 | call ga_matmul_patch('n','n', (1d0,0d0), (0d0,0d0), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). util_patch_test.F:403:41: 403 | call ga_matmul_patch('n','n', 1d0, 0d0, | 1 ...... 890 | call ga_matmul_patch('n','n', (1d0,0d0), (0d0,0d0), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling util_ndim_test.F... Compiling util_perf_test.F... Compiling util_test_lu.F... Compiling util_test_eig.F... Compiling util_dra_test.F... util_dra_test.F:101:38: 101 | call ga_put(g_a, 1, n, j, j, a(1, j), n) | 1 ...... 236 | call ga_put(g_a, 1, n, j, j, a(1, j), n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). util_dra_test.F:162:18: 162 | call ga_add(1, g_a, -1, g_b, g_b) | 1 ...... 272 | call ga_add(1d0, g_a, -1d0, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). util_dra_test.F:162:26: 162 | call ga_add(1, g_a, -1, g_b, g_b) | 1 ...... 272 | call ga_add(1d0, g_a, -1d0, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling util_eaf_test.F... util_eaf_test.F:371:30: 190 | $ DMAP(iter), | 2 ...... 371 | ierr = eaf_write(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). util_eaf_test.F:371:38: 191 | $ buf(1), buf_sz)) | 2 ...... 371 | ierr = eaf_write(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). util_eaf_test.F:387:29: 219 | $ DMAP(iter), | 2 ...... 387 | ierr = eaf_read(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). util_eaf_test.F:387:37: 220 | $ buf2(1), buf_sz)) | 2 ...... 387 | ierr = eaf_read(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling util_sf_test.F... Compiling ga_lkain_2cpl3.F... ga_lkain_2cpl3.F:111:34: 95 | & converge_precond)) | 2 ...... 111 | & acc)) acc = 1d-4*tol | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). ga_lkain_2cpl3.F:1259:22: 347 | if (odebug) call ga_print(g_a) | 2 ...... 1259 | call ga_print(g_x) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ga_lkain_2cpl3.F:1275:22: 347 | if (odebug) call ga_print(g_a) | 2 ...... 1275 | call ga_print(g_x) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ga_lkain_2cpl3.F:1301:22: 347 | if (odebug) call ga_print(g_a) | 2 ...... 1301 | call ga_print(g_x) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ga_lkain_2cpl3.F:1025:14: 1025 | if (debug1) then | ^ Warning: 'debug1' may be used uninitialized [-Wmaybe-uninitialized] ga_lkain_2cpl3.F:602:20: 602 | logical debug1 | ^ note: 'debug1' was declared here Compiling util_io.F... Compiling util_xyz.F... Compiling util_ma.F... Compiling util_mpinap.c... Compiling ga_lkain_2cpl3_ext.F... Compiling util_dgeev.F... Compiling util_nwsort.F... Compiling util_mygabcast.c... Compiling util_getppn.c... ga_lkain_2cpl3_ext.F:5289:72: 5289 | & 'getdiffs_Az1z1: failed op ne +1 or -1') | 1 Warning: Missing actual argument for argument '_formal_8' at (1) ga_lkain_2cpl3_ext.F:5297:72: 5297 | call errquit('getdiffs_Az1z1: failed nsub lt 6') | 1 Warning: Missing actual argument for argument '_formal_8' at (1) ga_lkain_2cpl3_ext.F:2495:44: 2495 | call ga_get(g_xr1,1,n2,ivec,ivec,dbl_mb(k_x),1) | 1 ...... 5811 | call ga_get(g_b,i,i,1,nvec,dcpl_mb(k_z),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:2363:53: 2363 | call ga_put(g_Ax1,idat ,idat ,ivec1,ivec1,val_re,1) | 1 ...... 6197 | call ga_put(g_a,i,i,j,j,number,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:6128:27: 5698 | call ga_add_patch(one_cmplx,g_zr1,1,n1,1,nvec, | 2 ...... 6128 | call ga_add_patch(one,g_xr1 ,m1,m2,1,nvec, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:6129:27: 5699 | $ one_cmplx,g_z1 ,1,n1,p1,p2, | 2 ...... 6129 | $ one,g_x(ipm),1 ,n ,1,nvec, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:123:34: 107 | & converge_precond)) | 2 ...... 123 | & acc)) acc = 1d-4*tol | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling util_units.F... Compiling util_align.F... Compiling util_intrsc2008.F... ./util_scalapack_info.bash Compiling util_fadvise.c... Compiling ga_conjg.F... Compiling nwmolden.F... Compiling ao_1prdm_read.F... Compiling ao_1prdm_write.F... Compiling util_strips.F... Compiling util_poltensor.F... Compiling util_mygop.F... Compiling util_isnan.c... Compiling util_blasthreads.F... Compiling util_gpu_affinity.F... Compiling util_scalapack.F... Compiling util_norm2.F... Compiling util_dpofa.F... Compiling util_dgedi.F... Compiling linux_cpu.c... Compiling linux_shift.F... Compiling linux_random.c... Compiling erfc.c... Compiling linux_printaff.c... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/util' Making all in md5 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/util/md5' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Compiling md5wrap.c... md5wrap.c:116:13: warning: 'checksum_string_to_sum' defined but not used [-Wunused-function] 116 | static void checksum_string_to_sum(const char csum[33], unsigned char sum[16]) | ^~~~~~~~~~~~~~~~~~~~~~ Compiling md5.c... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/util/md5' Compiling ga_matpow.F... Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a md5wrap.o md5.o Compiling util_pack.F... echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/util/md5' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/util/md5' util_pack.F:134:28: 77 | call ifill(ndo, 0, unpacked(i1-base), 1) | 2 ...... 134 | call ifill(ndo, 0, unpacked(i2-base), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(2)/INTEGER(1)). Compiling dabssum.F... Compiling util_version.F... Compiling dabsmax.F... Compiling util_scalapack_info.F... Compiling dfill.F... Compiling ifill.f... Compiling mabyte_fill.F... Compiling zfill.f... Compiling ga_it_lsolve.F... ga_it_lsolve.F:235:72: 235 | convg_ratio = rnorm/rnorm_prev | ^ Warning: 'rnorm_prev' may be used uninitialized [-Wmaybe-uninitialized] ga_it_lsolve.F:77:40: 77 | double precision rnorm, rnorm_prev, bnorm, convg_ratio | ^ note: 'rnorm_prev' was declared here Compiling ga_it_orth.F... Compiling ga_orthog.F... Compiling idamin.f... Compiling util_jacobi.F... Compiling util_rsg.f... Compiling stpr_sjacobi.F... Compiling util_memcpy.c... util_rsg.f:139:72: 139 | h = g * p / r | ^ Warning: 'b' may be used uninitialized [-Wmaybe-uninitialized] util_rsg.f:42:24: 42 | double precision b,c,f,g,h,p,r,s,t,util_epslon,util_pythag | ^ note: 'b' was declared here util_rsg.f:102:16: 102 | if (e2(m) .le. c) go to 120 | ^ Warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] util_rsg.f:42:26: 42 | double precision b,c,f,g,h,p,r,s,t,util_epslon,util_pythag | ^ note: 'c' was declared here Compiling ga_accback.c... Compiling ga_asymmetr.c... Compiling util_gnxtval.c... Compiling nxtask.F... nxtask.F:125:72: 125 | end | ^ Warning: '__result_nxtask0' may be used uninitialized [-Wmaybe-uninitialized] nxtask.F:36:30: 36 | integer function nxtask0(nproc, ichunk, skipfirst) | ^ note: '__result_nxtask0' was declared here nxtask.F:36:30: Warning: '__result_nxtask0' may be used uninitialized [-Wmaybe-uninitialized] Compiling util_mirror.F... util_mirror.F:24:23: 24 | call nga_inquire(g_a, type, ndim, dims) | 1 ...... 85 | call nga_inquire(g_a, type, ndim, dims) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ga_copy_dz.F... Compiling dgami.f... dgami.f:351:72: 351 | DCSEVL = 0.5D0*(B0-B2) | ^ Warning: 'b2' may be used uninitialized [-Wmaybe-uninitialized] dgami.f:327:33: 327 | DOUBLE PRECISION B0, B1, B2, CS(*), ONEPL, TWOX, X, D1MACH | ^ note: 'b2' was declared here Compiling util_eri_cholesky.F... dgami.f:937:10: 937 | 20 IF (I .EQ. NOS) CALL XERMSG ('SLATEC', 'INITDS', | ^ Warning: 'i' may be used uninitialized [-Wmaybe-uninitialized] dgami.f:932:9: 932 | I = NOS + 1 - II | ^ note: 'i' was declared here Compiling util_test_cholesky.F... Compiling util_sillysort.F... Compiling util_talker.c... util_talker.c: In function 'util_talker_': util_talker.c:23:19: warning: unused variable 'valread' [-Wunused-variable] 23 | int sock = 0, valread; | ^~~~~~~ Compiling icopy.f... Compiling dsum.f... Compiling dgefa.f... Compiling zsum.f... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/util' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/util' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a output.o errquit.o ffflush.o print_center.o util_flush.o util_sgroup.o util_host.o util_date.o input_echo.o util_transpose.o ga_iter_diag.o ga_maxelt.o nga_idamax.o ga_pcg_min.o line_search.o ga_orth_vec.o ga_ran_fill.o ga_mix.o ga_list.o ga_it_proj.o ga_screen.o ga_get_diag.o fortchar.o seq_output.o ga_mat2col.o util_ch_brd.o two_ind_trn.o util_pname.o sread.o swrite.o banner.o util_print.o util_module_avail.o util_version.o util_nwchem_version.o util_ga_version.o util_nwchem_paper.o util_nwchem_srcdir.o utilc_nwchem_srcdir.o mk_fit_xf.o int_2c_ga.o ma_solve.o ga_local_mdot.o util_cpusec.o util_wallsec.o gather.o scatter.o ga_trace_dg.o lcopy.o util_legal.o util_file_name.o util_io_unit.o util_speak.o util_rtdb_speak.o util_file_copy.o util_file_unlink.o util_system.o util_sleep.o util_rtdb_state.o ecce_print.o util_random.o util_job.o util_getenv.o util_getarg.o util_nwchemrc.o util_md.o util_md_c.o util_md_sockets.o dgewr.o atoi.o indint.o util_wall_remain.o ga_normf.o corr_mk_ref.o nw_inp_from_file.o bgj.o movecs_ecce.o get_density.o moeig_read.o util_file_copy.o util_debug.o util_erf.o util_cflush.o util_ascii_plot.o util_length_scale.o ga_it2.o ga_lkain_ext.o ma_print.o freeze_input.o ga_extra.o util_test.o util_ga_test.o util.o util_patch_test.o util_ndim_test.o util_perf_test.o util_test_lu.o util_test_eig.o util_dra_test.o util_eaf_test.o util_sf_test.o ga_lkain_2cpl3.o util_io.o util_xyz.o util_ma.o util_mpinap.o ga_lkain_2cpl3_ext.o util_dgeev.o util_nwsort.o util_mygabcast.o util_getppn.o util_units.o util_align.o util_intrsc2008.o util_fadvise.o util_scalapack_info.o ga_conjg.o nwmolden.o ao_1prdm_read.o ao_1prdm_write.o util_strips.o util_poltensor.o util_mygop.o util_isnan.o util_blasthreads.o util_gpu_affinity.o util_scalapack.o util_norm2.o util_dpofa.o util_dgedi.o linux_cpu.o linux_shift.o linux_random.o erfc.o linux_printaff.o ga_matpow.o util_pack.o dabssum.o dabsmax.o dfill.o ifill.o mabyte_fill.o zfill.o ga_it_lsolve.o ga_it_orth.o ga_orthog.o idamin.o util_jacobi.o util_rsg.o stpr_sjacobi.o util_memcpy.o ga_accback.o ga_asymmetr.o util_gnxtval.o nxtask.o util_mirror.o ga_copy_dz.o dgami.o util_eri_cholesky.o util_test_cholesky.o util_sillysort.o util_talker.o icopy.o dsum.o dgefa.o zsum.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/util' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/util' Making libraries in peigs make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/peigs' (make lib ) || exit 1 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/peigs' (cd ./src/c; make) make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/peigs/src/c' Compiling clustrfix.c... clustrfix.c: In function 'clustrfix_': clustrfix.c:365:23: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 365 | printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); | ~^ ~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld clustrfix.c:365:30: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 365 | printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); | ~^ ~~~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld clustrfix.c:365:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 365 | printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); | ~^ ~~~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld clustrfix.c:365:42: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 365 | printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); | ~^ ~~~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld clustrfix.c:139:19: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 139 | DoublePrecision eps, xj1, xj2; | ^~~ clustrfix.c:134:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] 134 | Integer me; | ^~ clustrfix.c:128:23: warning: variable 'num_all_cls' set but not used [-Wunused-but-set-variable] 128 | Integer j, num_cls, num_all_cls; | ^~~~~~~~~~~ clustrfix.c:127:11: warning: variable 'jblk' set but not used [-Wunused-but-set-variable] 127 | Integer jblk, nblk; | ^~~~ clustrfix.c: At top level: clustrfix.c:62:16: warning: 'clustr_check' defined but not used [-Wunused-function] 62 | static Integer clustr_check(c1, cn, imin, imax) | ^~~~~~~~~~~~ Compiling mgscs.c... mgscs.c: In function 'mgscs': mgscs.c:184:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 184 | fprintf(stderr, "node = %d NULL vector assignment in vecA \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling pscale.c... pscale.c: In function 'pscale_': pscale.c:232:20: warning: variable 'maxinfo' set but not used [-Wunused-but-set-variable] 232 | nproc, msize, maxinfo; | ^~~~~~~ pscale.c:232:6: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 232 | nproc, msize, maxinfo; | ^~~~~ pscale.c:231:31: warning: variable 'me' set but not used [-Wunused-but-set-variable] 231 | Integer il, linfo, me, | ^~ pscale.c:231:24: warning: variable 'linfo' set but not used [-Wunused-but-set-variable] 231 | Integer il, linfo, me, | ^~~~~ Compiling clustrxx5.c... clustrxx5.c: In function 'clustrinv5_': clustrxx5.c:128:45: warning: variable 'ival' set but not used [-Wunused-but-set-variable] 128 | myindx, ime, itype, nvecs, isize, ival, first, ibad, itmp; | ^~~~ clustrxx5.c:128:11: warning: 'myindx' may be used uninitialized [-Wmaybe-uninitialized] 128 | myindx, ime, itype, nvecs, isize, ival, first, ibad, itmp; | ^~~~~~ Compiling clustrxx4.c... clustrxx4.c: In function 'clustrinv4_': clustrxx4.c:84:19: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 84 | DoublePrecision eps; | ^~~ clustrxx4.c:78:23: warning: variable 'Zvec' set but not used [-Wunused-but-set-variable] 78 | Integer me, naproc, Zvec; | ^~~~ clustrxx4.c:78:15: warning: variable 'naproc' set but not used [-Wunused-but-set-variable] 78 | Integer me, naproc, Zvec; | ^~~~~~ Compiling pstein4.c... Compiling pstein5.c... pstein5.c: In function 'pstein5': pstein5.c:232:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 232 | printf( " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 233 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pstein5.c:232:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 232 | printf( " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 233 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pstein5.c:300:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 300 | printf( " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 301 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pstein5.c:300:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 300 | printf( " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 301 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pstein5.c:444:29: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 444 | fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", | ~^ | | | int | %ld 445 | me, isize, neigval ); | ~~ | | | Integer {aka long int} pstein5.c:444:58: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 444 | fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", | ~^ | | | int | %ld 445 | me, isize, neigval ); | ~~~~~ | | | Integer {aka long int} pstein5.c:444:71: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 444 | fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", | ~^ | | | int | %ld 445 | me, isize, neigval ); | ~~~~~~~ | | | Integer {aka long int} Compiling peigs_dlasq1.c... peigs_dlasq1.c: In function 'peigs_dlasq1': peigs_dlasq1.c:33:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 33 | printf(" error in ylasq1 info = %d \n", *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld peigs_dlasq1.c:34:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 34 | sprintf( filename, "pdspevx.%d", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld peigs_dlasq1.c:37:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 37 | fprintf(file, " %d %20.16f %20.16f \n", iii, dplus[iii], lplus[iii]); | ~^ ~~~ | | | | int Integer {aka long int} | %ld peigs_dlasq1.c:12:26: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 12 | Integer i, j, iii, me, nproc; | ^~~~~ peigs_dlasq1.c:39:5: warning: pointer 'file' used after 'fclose' [-Wuse-after-free] 39 | fflush(file); | ^~~~~~~~~~~~ peigs_dlasq1.c:38:5: note: call to 'fclose' here 38 | fclose(file); | ^~~~~~~~~~~~ Compiling b_ortho.c... b_ortho.c: In function 'b_ortho': b_ortho.c:190:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 190 | "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 191 | *m, *n, me); | ~~ | | | Integer {aka long int} b_ortho.c:190:57: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 190 | "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 191 | *m, *n, me); | ~~ | | | Integer {aka long int} b_ortho.c:190:67: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 190 | "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 191 | *m, *n, me); | ~~ | | | Integer {aka long int} Compiling chol_bcst.c... chol_bcst.c: In function 'chol_pipe_bcast': chol_bcst.c:97:21: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 97 | Integer *junk, k, isize; | ^~~~~ Compiling choleski9.c... choleski9.c: In function 'sub_chol0': choleski9.c:292:17: warning: variable 'root' set but not used [-Wunused-but-set-variable] 292 | long length, root; | ^~~~ choleski9.c:292:9: warning: variable 'length' set but not used [-Wunused-but-set-variable] 292 | long length, root; | ^~~~~~ Compiling ci_entry.c... ci_entry.c: In function 'ci_entry': ci_entry.c:122:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 122 | printf(" Peigs: ci_entry_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:145:37: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 145 | printf("PeIGS: ci_entry_ :node %d : i < j \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c: In function 'ci_entry_': ci_entry.c:231:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 231 | printf(" Peigs: ci_entry_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:254:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 254 | printf( "PeIGS: ci_entry_ :node %d : i < j \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c: In function 'ci_size_': ci_entry.c:321:20: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 321 | printf(" Node %d Error in ci_size arg 1 with me = %d mxnprc = %d \n", iam, *me, mxnprc_()); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:321:56: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 321 | printf(" Node %d Error in ci_size arg 1 with me = %d mxnprc = %d \n", iam, *me, mxnprc_()); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:321:68: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 321 | printf(" Node %d Error in ci_size arg 1 with me = %d mxnprc = %d \n", iam, *me, mxnprc_()); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:335:37: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 335 | printf(" Peigs: ci_size_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c: In function 'fil_mapvec_': ci_entry.c:396:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 396 | printf(" Peigs: fil_mapvec_ node %d : first argument is NULL \n", mxmynd_()); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:397:19: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 397 | printf("me = %d fil_mapvec_ \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:402:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 402 | printf(" Peigs: fil_mapvec_ node %d : first argument %d out of bounds \n", mxmynd_(), *me); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:402:60: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 402 | printf(" Peigs: fil_mapvec_ node %d : first argument %d out of bounds \n", mxmynd_(), *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:403:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 403 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:408:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 408 | printf(" Peigs: fil_mapvec_ node %d : 2nd argument is NULL i\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:409:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 409 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:413:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | printf(" Peigs: fil_mapvec_ node %d : Mapping problem second argument is invalid \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:414:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 414 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:418:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 418 | printf(" Peigs: fil_mapvec_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:420:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 420 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:427:42: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 427 | printf(" Peigs: fil_mapvec_ node %d : 3rd argument error. \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:428:28: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 428 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:432:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 432 | printf(" Peigs: fil_mapvec_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:433:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 433 | printf(" Peigs: fil_mapvec_ node %d : 4th argument error. \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:435:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 435 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:444:23: warning: the comparison will always evaluate as 'false' for the pointer operand in 'mapvec + (sizetype)((long unsigned int)k * 8)' must not be NULL [-Waddress] 444 | if ( mapvec + k == NULL ) { | ^~ ci_entry.c:446:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 446 | printf(" Peigs: fil_mapvec_ node %d : 4th argument error. \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:447:30: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 447 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld Compiling conjug22.c... conjug22.c: In function 'lsl_conjugation2': conjug22.c:95:41: warning: variable 'iptr' set but not used [-Wunused-but-set-variable] 95 | Integer *iscrat, *mapvecA, *mapvecB, *iptr; | ^~~~ conjug22.c:94:34: warning: variable 'linfo' set but not used [-Wunused-but-set-variable] 94 | Integer i, me, nvecsA, nvecsB, linfo, id; | ^~~~~ Compiling de_sym.c... de_sym.c: In function 'un_load': de_sym.c:250:29: warning: variable 'icount' set but not used [-Wunused-but-set-variable] 250 | Integer indx, jndx, j, k, icount; | ^~~~~~ Compiling exit.c... exit.c: In function 'g_exit2_': exit.c:78:35: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 78 | fprintf(stderr, "G_EXIT2: Node %d Error. A routine called g_exit2_, \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit.c:79:65: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 79 | fprintf(stderr, "Message from calling routine: %s node id = %d \n", array, me); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit.c: In function 'g_exit_': exit.c:151:36: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 151 | fprintf(stderr, "G_EXIT: Node %d Error: Number of processors in Proc List exceeds number allocated \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit.c:164:41: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 164 | fprintf(stderr, " %s My node id = %d info = %d (g_exit_) \n", array, me, *n); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit.c:164:51: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 164 | fprintf(stderr, " %s My node id = %d info = %d (g_exit_) \n", array, me, *n); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling exit2.c... exit2.c: In function 'l_exit_': exit2.c:61:39: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 61 | fprintf(stderr, " %s My node id = %d info = %d (l_exit_) \n", array, me, *info); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit2.c:61:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 61 | fprintf(stderr, " %s My node id = %d info = %d (l_exit_) \n", array, me, *info); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld Compiling forLL.c... Compiling forLU.c... Compiling gmax.c... Compiling inverse.c... inverse.c: In function 'pipe_bcst_prev_col': inverse.c:91:27: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 91 | Integer *junk, *ptr, k, isize; | ^~~~~ inverse.c: In function 'inverseL': inverse.c:225:11: warning: variable 'length' set but not used [-Wunused-but-set-variable] 225 | Integer length; | ^~~~~~ Compiling lu_mxm2.c... Compiling mapdif.c... mapdif.c: In function 'mapdif_': mapdif.c:77:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] 77 | Integer me; | ^~ Compiling mapdif1.c... mapdif1.c: In function 'mapdif1_': mapdif1.c:79:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] 79 | Integer me; | ^~ Compiling matmax.c... Compiling mdif2b.c... Compiling mdiff1.c... Compiling mdiff2.c... Compiling memreq.c... memreq.c: In function 'memreq_': memreq.c:181:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 181 | fprintf(stderr, " me = %d error in mapB in memreq.c \n",me); | ~^ ~~ | | | | int Integer {aka long int} | %ld memreq.c:197:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 197 | fprintf(stderr, " me = %d error in mapZ in memreq.c \n",me); | ~^ ~~ | | | | int Integer {aka long int} | %ld memreq.c:109:59: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 109 | Integer nvecsA, nvecsQ, nvecsQ_max, nvecsZ, nvecsZ_max, nvecsB; | ^~~~~~ memreq.c:105:32: warning: variable 'ptr_mxm25' set but not used [-Wunused-but-set-variable] 105 | ptr_tred2, ptr_mxm25, ptr_pdspevx; | ^~~~~~~~~ memreq.c:105:21: warning: variable 'ptr_tred2' set but not used [-Wunused-but-set-variable] 105 | ptr_tred2, ptr_mxm25, ptr_pdspevx; | ^~~~~~~~~ memreq.c:104:30: warning: variable 'ptr_clustrinv' set but not used [-Wunused-but-set-variable] 104 | ptr_mgs, ptr_clustrinv, ptr_pstein, ptr_pdsptri, | ^~~~~~~~~~~~~ memreq.c:104:21: warning: variable 'ptr_mgs' set but not used [-Wunused-but-set-variable] 104 | ptr_mgs, ptr_clustrinv, ptr_pstein, ptr_pdsptri, | ^~~~~~~ memreq.c:103:58: warning: variable 'ptr_inv_it' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~ memreq.c:103:45: warning: variable 'ptr_clustrf' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~~ memreq.c:103:33: warning: variable 'ptr_pstebz' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~ memreq.c:103:21: warning: variable 'ptr_dstebz' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~ memreq.c:100:41: warning: variable 'd_clustrf' set but not used [-Wunused-but-set-variable] 100 | d_dstebz, d_pstebz, d_clustrf, d_inv_it, | ^~~~~~~~~ Compiling memreq_f.c... memreq_f.c: In function 'fmemreq_': memreq_f.c:168:33: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 168 | fprintf(stderr, " me = %d error in mapB in fmemreq.c \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld memreq_f.c:184:31: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 184 | fprintf(stderr, " me = %d error in mapZ in fmemreq.c \n",me); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling mgs5.c... Compiling mxm25.c... Compiling mxm5x.c... Compiling mxm88.c... Compiling mxm_ll1.c... Compiling onenorm.c... Compiling ortho.c... ortho.c: In function 'ortho': ortho.c:162:44: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 162 | "Error in routine ortho m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 163 | *m, *n, me); | ~~ | | | Integer {aka long int} ortho.c:162:54: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 162 | "Error in routine ortho m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 163 | *m, *n, me); | ~~ | | | Integer {aka long int} ortho.c:162:64: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 162 | "Error in routine ortho m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 163 | *m, *n, me); | ~~ | | | Integer {aka long int} Compiling pdspev_c.c... pdspev_c.c: In function 'pdspev': pdspev_c.c:287:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 287 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", msg, me, -linfo ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspev_c.c:287:45: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 287 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", msg, me, -linfo ); | ~^ ~~~~~~ | | | | int Integer {aka long int} | %ld pdspev_c.c:315:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 315 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 316 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspev_c.c:315:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 315 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 316 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspev_c.c:341:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 341 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 342 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspev_c.c:341:48: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 341 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 342 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspev_c.c:357:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 357 | fprintf( stderr, " %s me = %d mapA,Z differ \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspev_c.c:382:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 382 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspev_c.c:206:28: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 206 | iub, nproc, isize, nvecsA, nvecsZ, linfo, maxinfo, | ^~~~~ Compiling pdspevx.c... pdspevx.c: In function 'pdspevx': pdspevx.c:353:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 353 | sprintf( filename, "pdspevx.%d", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx.c:413:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 414 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspevx.c:413:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 414 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspevx.c:455:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 455 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 456 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspevx.c:455:48: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 455 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 456 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspevx.c:482:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 482 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 483 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspevx.c:482:48: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 482 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 483 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspevx.c:498:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 498 | fprintf( stderr, " %s me = %d mapA,Z differ \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx.c:523:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 523 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx.c:937:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 937 | fprintf(stderr, " %s me = %d pstebz_ returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx.c:937:60: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 937 | fprintf(stderr, " %s me = %d pstebz_ returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdspevx.c:1068:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 1068 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx.c:1068:62: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 1068 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdspevx.c:289:13: warning: variable 'iscale' set but not used [-Wunused-but-set-variable] 289 | Integer iscale; | ^~~~~~ pdspevx.c:288:54: warning: variable 'anrm' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~~ pdspevx.c:288:48: warning: variable 'rmax' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~~ pdspevx.c:288:42: warning: variable 'rmin' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~~ pdspevx.c:288:37: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~ pdspevx.c:278:21: warning: variable 'fnormA' set but not used [-Wunused-but-set-variable] 278 | DoublePrecision fnormA; | ^~~~~~ pdspevx.c:268:39: warning: variable 'nvecsZ2' set but not used [-Wunused-but-set-variable] 268 | mapZ_0, nvecsQ, nvecsA, nvecsZ, nvecsZ2, | ^~~~~~~ pdspevx.c:268:7: warning: variable 'mapZ_0' set but not used [-Wunused-but-set-variable] 268 | mapZ_0, nvecsQ, nvecsA, nvecsZ, nvecsZ2, | ^~~~~~ pdspevx.c:267:14: warning: variable 'nZ2' set but not used [-Wunused-but-set-variable] 267 | isize, nZ2, | ^~~ pdspevx.c:266:7: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 266 | nproc, itmp, | ^~~~~ Compiling pdspgv_c.c... pdspgv_c.c: In function 'pdspgv': pdspgv_c.c:319:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 319 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 320 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspgv_c.c:319:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 319 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 320 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspgv_c.c:352:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 352 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 353 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspgv_c.c:352:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 352 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 353 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspgv_c.c:386:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 386 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 387 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspgv_c.c:386:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 386 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 387 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspgv_c.c:406:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 406 | fprintf( stderr, " %s me = %d mapA,B,Z differ \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgv_c.c:432:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 432 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgv_c.c:229:50: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 229 | Integer i, j, k, isize, msize, me, nproc; | ^~~~~ Compiling pdspgvx.c... pdspgvx.c: In function 'pdspgvx': pdspgvx.c:422:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 422 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 423 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspgvx.c:422:45: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 422 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 423 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspgvx.c:466:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 466 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 467 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspgvx.c:466:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 466 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 467 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspgvx.c:512:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 512 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 513 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspgvx.c:512:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 512 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 513 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspgvx.c:532:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 532 | fprintf( stderr, " %s me = %d mapA,B,Z differ \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:557:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 557 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:710:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 710 | fprintf(stderr, " %s me = %d choleski returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:710:64: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 710 | fprintf(stderr, " %s me = %d choleski returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:740:38: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 740 | fprintf(stderr, " %s me = %d inverseL returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:740:66: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 740 | fprintf(stderr, " %s me = %d inverseL returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:828:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 828 | fprintf(stderr, " %s me = %d pdspevx returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:828:61: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 828 | fprintf(stderr, " %s me = %d pdspevx returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld Compiling pdsptri.c... pdsptri.c: In function 'pdsptri': pdsptri.c:350:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 350 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 351 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdsptri.c:350:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 350 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 351 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdsptri.c:413:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 414 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdsptri.c:413:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 414 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdsptri.c:534:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 534 | fprintf(stderr, " %s me = %d pstebz returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdsptri.c:534:60: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 534 | fprintf(stderr, " %s me = %d pstebz returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdsptri.c:573:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 573 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdsptri.c:573:62: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 573 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld Compiling peigs_cmod.f... Compiling pipe_fut.c... pipe_fut.c: In function 'pipe_bcst_fut_col': pipe_fut.c:85:27: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 85 | Integer *junk, *ptr, k, isize; | ^~~~~ Compiling pmmLSL.c... pmmLSL.c: In function 'pmmLSL': pmmLSL.c:92:64: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 92 | Integer i, k, me, isize, indx, i_A, i_B, nvecsA, nvecsB; | ^~~~~~ Compiling pmmLUL.c... pmmLUL.c: In function 'pmmLUL': pmmLUL.c:96:73: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 96 | Integer i, k, me, isize, isize0, indx, i_A, i_B, nvecsA, nvecsB; | ^~~~~~ Compiling pmmlsl2.c... pmmlsl2.c: In function 'pmmlsl2': pmmlsl2.c:91:28: warning: variable 'scratch' set but not used [-Wunused-but-set-variable] 91 | DoublePrecision *d_ptr, *scratch, *buff, **b_ptr, **matrix2; | ^~~~~~~ pmmlsl2.c:90:48: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 90 | Integer me, isize, indx, nvecsA, nvecsB; | ^~~~~~ Compiling pxerbla.c... pxerbla.c: In function 'pxerbla2_': pxerbla.c:128:37: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 128 | fprintf(stderr, "PXERBLA: Node %d Error: Number of processors in Proc List exceeds number allocated \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling qsort.c... Compiling resid.c... Compiling residual.c... Compiling sfnorm.c... Compiling shellsort.c... Compiling soluf.c... soluf.c: In function 'upperUF_': soluf.c:91:19: warning: variable 'safeulp' set but not used [-Wunused-but-set-variable] 91 | DoublePrecision safeulp; | ^~~~~~~ Compiling sonenorm.c... Compiling soort.c... Compiling sort.c... sort.c: In function 'G_count': sort.c:43:18: warning: variable 'k' set but not used [-Wunused-but-set-variable] 43 | Integer i, j, *k; | ^ Compiling sorteig.c... sorteig.c: In function 'sorteig': sorteig.c:61:27: warning: variable 'naproc' set but not used [-Wunused-but-set-variable] 61 | Integer me, naproc, nvecsZ, indx, jj, isaved, jlast, itmp, | ^~~~~~ Compiling tred22.c... tred22.c: In function 'tred2': tred22.c:328:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 328 | fprintf(stderr, "node = %d NULL vector assignment in vecA \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld tred22.c:354:43: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 354 | sprintf(msg, "TRED22:Error in argument %d \n", linfo); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld Compiling treesort3.c... treesort3.c: In function 'reduce_list3': treesort3.c:109:12: warning: variable 'junk' set but not used [-Wunused-but-set-variable] 109 | Integer *junk, k, num_indx; | ^~~~ Compiling tresid.c... tresid.c: In function 'tresid': tresid.c:118:44: warning: variable 'dumb' set but not used [-Wunused-but-set-variable] 118 | DoublePrecision t, derror, normA, ulp, dumb; | ^~~~ Compiling util.c... Compiling xerbla.c... xerbla.c: In function 'xerbla': xerbla.c:45:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 45 | fprintf(stdout, " processor %d \n", mxmynd_()); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld xerbla.c:46:57: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 46 | fprintf(stdout, " ** On entry to %s parameter number %d had an illegal value or pointer \n", | ~^ | | | int | %ld 47 | string, *info ); | ~~~~~ | | | Integer {aka long int} Compiling mapchk.c... mapchk.c: In function 'mapchk_': mapchk.c:59:3: warning: this 'for' clause does not guard... [-Wmisleading-indentation] 59 | for (indx = 0; indx < *n; indx++ ) | ^~~ mapchk.c:64:6: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'for' 64 | iptr++; | ^~~~ Compiling pdiff.c... pdiff.c: In function 'pdiff': pdiff.c:104:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 104 | fprintf( stderr, " Error in pdiff. me = %d not in proclist. \n", me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdiff.c:131:58: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 131 | fprintf( stderr, " %s %s is different on processors %d and %d \n", | ~^ | | | int | %ld 132 | msg1, msg2, me, last_proc ); | ~~ | | | Integer {aka long int} pdiff.c:131:65: warning: format '%d' expects argument of type 'int', but argument 6 has type 'Integer' {aka 'long int'} [-Wformat=] 131 | fprintf( stderr, " %s %s is different on processors %d and %d \n", | ~^ | | | int | %ld 132 | msg1, msg2, me, last_proc ); | ~~~~~~~~~ | | | Integer {aka long int} Compiling pgexit.c... pgexit.c: In function 'pgexit': pgexit.c:85:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 85 | fprintf( stderr, " %s me = %d exiting via pgexit. \n", msg, mxmynd_() ); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld Compiling reducemap.c... Compiling pstebz10.c... pstebz10.c: In function 'pstebz10_': pstebz10.c:244:20: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 244 | DoublePrecision eps, tmp; | ^~~ pstebz10.c:229:24: warning: variable 'safemn' set but not used [-Wunused-but-set-variable] 229 | DoublePrecision ulp, safemn, onenrm; | ^~~~~~ pstebz10.c:229:19: warning: variable 'ulp' set but not used [-Wunused-but-set-variable] 229 | DoublePrecision ulp, safemn, onenrm; | ^~~ pstebz10.c:226:11: warning: variable 'j' set but not used [-Wunused-but-set-variable] 226 | Integer j, i, i1split, jsplit, blksz; | ^ pstebz10.c:225:5: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 225 | nproc, msize, maxinfo, *i_work, *proclist; | ^~~~~ pstebz10.c:512:21: warning: 'nhigh' may be used uninitialized [-Wmaybe-uninitialized] 512 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz10.c:223:5: note: 'nhigh' was declared here 223 | nhigh, numeig, isize, linfo, | ^~~~~ pstebz10.c:512:21: warning: 'nlow' may be used uninitialized [-Wmaybe-uninitialized] 512 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz10.c:224:13: note: 'nlow' was declared here 224 | iii, m, nlow, me, nn_procs, | ^~~~ Compiling pstebz11.c... pstebz11.c: In function 'pstebz11_': pstebz11.c:246:37: warning: unused variable 'shift' [-Wunused-variable] 246 | DoublePrecision leig, reig, eps, shift, tmp1, dummy, tmp; | ^~~~~ pstebz11.c:246:26: warning: variable 'reig' set but not used [-Wunused-but-set-variable] 246 | DoublePrecision leig, reig, eps, shift, tmp1, dummy, tmp; | ^~~~ pstebz11.c:228:6: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 228 | nproc, msize, maxinfo, *i_work, *proclist; | ^~~~~ pstebz11.c:227:30: warning: unused variable 'k' [-Wunused-variable] 227 | iii, m, nlow, me, ncol, k, nn_procs, | ^ pstebz11.c:226:34: warning: unused variable 'ival' [-Wunused-variable] 226 | nhigh, numeig, irem, isize, ival, linfo, | ^~~~ pstebz11.c:225:20: warning: unused variable 'indx' [-Wunused-variable] 225 | Integer indx, il, iu, ifakeme, itype, | ^~~~ pstebz11.c:221:19: warning: unused variable 'cptr' [-Wunused-variable] 221 | char msg[35], *cptr; | ^~~~ pstebz11.c:496:21: warning: 'nhigh' may be used uninitialized [-Wmaybe-uninitialized] 496 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz11.c:226:6: note: 'nhigh' was declared here 226 | nhigh, numeig, irem, isize, ival, linfo, | ^~~~~ pstebz11.c:496:21: warning: 'nlow' may be used uninitialized [-Wmaybe-uninitialized] 496 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz11.c:227:14: note: 'nlow' was declared here 227 | iii, m, nlow, me, ncol, k, nn_procs, | ^~~~ Compiling inv_it4.c... inv_it4.c: In function 'inv_it4': inv_it4.c:78:23: warning: variable 'sep' set but not used [-Wunused-but-set-variable] 78 | DoublePrecision xj, sep; | ^~~ inv_it4.c:76:43: warning: variable 'indrv5' set but not used [-Wunused-but-set-variable] 76 | Integer indrv1, indrv2, indrv3, indrv4, indrv5; | ^~~~~~ Compiling inv_it5.c... inv_it5.c: In function 'inv_it5': inv_it5.c:72:23: warning: variable 'sep' set but not used [-Wunused-but-set-variable] 72 | DoublePrecision xj, sep; | ^~~ Compiling inv_it3.c... Compiling peigs_tldlfact.c... Compiling clustrf5.c... clustrf5.c: In function 'clustrf5_': clustrf5.c:188:19: warning: variable 'ortol' set but not used [-Wunused-but-set-variable] 188 | DoublePrecision ortol, xj, sepfine; | ^~~~~ clustrf5.c:451:15: warning: 'xjm' may be used uninitialized [-Wmaybe-uninitialized] 451 | sep = xj - xjm; | ~~~~^~~~~~~~~~ clustrf5.c:187:19: note: 'xjm' was declared here 187 | DoublePrecision xjm, eps1; | ^~~ Compiling r_ritz.c... r_ritz.c: In function 'r_ritz_': r_ritz.c:32:27: warning: variable 'dscrat' set but not used [-Wunused-but-set-variable] 32 | DoublePrecision *dptr, *dscrat; | ^~~~~~ r_ritz.c:32:20: warning: variable 'dptr' set but not used [-Wunused-but-set-variable] 32 | DoublePrecision *dptr, *dscrat; | ^~~~ Compiling gdot.F... ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpeigs.a clustrfix.o mgscs.o pscale.o clustrxx5.o clustrxx4.o pstein4.o pstein5.o peigs_dlasq1.o b_ortho.o chol_bcst.o choleski9.o ci_entry.o conjug22.o de_sym.o exit.o exit2.o forLL.o forLU.o gmax.o inverse.o lu_mxm2.o mapdif.o mapdif1.o matmax.o mdif2b.o mdiff1.o mdiff2.o memreq.o memreq_f.o mgs5.o mxm25.o mxm5x.o mxm88.o mxm_ll1.o onenorm.o ortho.o pdspev_c.o pdspevx.o pdspgv_c.o pdspgvx.o pdsptri.o peigs_cmod.o pipe_fut.o pmmLSL.o pmmLUL.o pmmlsl2.o pxerbla.o qsort.o resid.o residual.o sfnorm.o shellsort.o soluf.o sonenorm.o soort.o sort.o sorteig.o tred22.o treesort3.o tresid.o util.o xerbla.o mapchk.o pdiff.o pgexit.o reducemap.o pstebz10.o pstebz11.o inv_it4.o inv_it5.o inv_it3.o peigs_tldlfact.o clustrf5.o r_ritz.o gdot.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpeigs.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/peigs/src/c' (cd ./src/f77; make) make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/peigs/src/f77' Compiling inverm.F... Compiling damax.f... inverm.F:497:72: 497 | IC = ICD | ^ Warning: 'icd' may be used uninitialized [-Wmaybe-uninitialized] inverm.F:422:22: 422 | INTEGER I,IC,ICD,IC0,IC1,IC2,MK1,MK2,MMAX | ^ note: 'icd' was declared here Compiling dlaebz2.F... Compiling dstebz3.F... dstebz3.F:501:18: 501 | IF( GU.LT.WL ) THEN | ^ Warning: 'wl' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:58: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wl' was declared here dstebz3.F:570:39: 570 | IF( W( JE ).LE.WLU .AND. IDISCL.GT.0 ) THEN | ^ Warning: 'wlu' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:63: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wlu' was declared here dstebz3.F:507:72: 507 | GU = MIN( GU, WU ) | ^ Warning: 'wu' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:67: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wu' was declared here dstebz3.F:572:44: 572 | ELSE IF( W( JE ).GE.WUL .AND. IDISCU.GT.0 ) THEN | ^ Warning: 'wul' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:72: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wul' was declared here Compiling heapsort.f... Compiling neblw2.F... neblw2.F:123:72: 123 | RETURN | ^ Warning: '__result_neblw2' may be used uninitialized [-Wmaybe-uninitialized] neblw2.F:35:29: 35 | INTEGER FUNCTION NEBLW2(N, V, D, E, WORK, INFO ) | ^ note: '__result_neblw2' was declared here Compiling dgetavec.F... Compiling dgetavec2.f... Compiling dgetavec3.f... Compiling types1.f... Compiling xerbl2.f... Compiling menode.f... Compiling pairup.f... Compiling xstop.f... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/peigs/src/f77' (cd ./comm; make) make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/peigs/comm' Compiling mxbrod.F... mxbrod.F:84:20: 84 | integer srcpos | ^ Warning: 'srcpos' may be used uninitialized [-Wmaybe-uninitialized] Compiling mxcombv1.F... mxcombv1.F:135:28: 135 | integer prtnr, prtlpos | ^ Warning: 'prtlpos' may be used uninitialized [-Wmaybe-uninitialized] Compiling mxsubs.F... mxsubs.F:571:21: 571 | ireslt = mxwrit (data,isize,ito,itype) | ^ Warning: 'ireslt' may be used uninitialized [-Wmaybe-uninitialized] Compiling sum.F... Compiling maxx.F... Compiling peigs_dgop.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/peigs/comm' (cd ./ctof; make) make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/peigs/ctof' Compiling bortho_f.c... bortho_f.c: In function 'bortho_': bortho_f.c:120:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 120 | "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 121 | *m, *n, me); | ~~ | | | Integer {aka long int} bortho_f.c:120:57: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 120 | "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 121 | *m, *n, me); | ~~ | | | Integer {aka long int} bortho_f.c:120:67: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 120 | "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 121 | *m, *n, me); | ~~ | | | Integer {aka long int} Compiling mxm25_f.c... Compiling mxm5x_f.c... Compiling mxm88_f.c... Compiling onenorm_f.c... Compiling ortho_f.c... ortho_f.c: In function 'ortho_': ortho_f.c:115:46: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 115 | "Error in routine ortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 116 | *m, *n, me); | ~~ | | | Integer {aka long int} ortho_f.c:115:56: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 115 | "Error in routine ortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 116 | *m, *n, me); | ~~ | | | Integer {aka long int} ortho_f.c:115:66: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 115 | "Error in routine ortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 116 | *m, *n, me); | ~~ | | | Integer {aka long int} Compiling pdspev_f.c... pdspev_f.c: In function 'pdspev_': pdspev_f.c:147:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 147 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 148 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspev_f.c:147:45: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 147 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 148 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspev_f.c:159:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 159 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling pdspevx_f.c... pdspevx_f.c: In function 'pdspevx_': pdspevx_f.c:170:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 170 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 171 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspevx_f.c:170:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 170 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 171 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspevx_f.c:182:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 182 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling pdspgv_f.c... pdspgv_f.c: In function 'pdspgv_': pdspgv_f.c:159:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 159 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 160 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspgv_f.c:159:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 159 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 160 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspgv_f.c:172:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 172 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling pdspgvx_f.c... pdspgvx_f.c: In function 'pdspgvx_': pdspgvx_f.c:179:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 179 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 180 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspgvx_f.c:179:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 179 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 180 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspgvx_f.c:192:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 192 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling resid_f.c... Compiling residual_f.c... Compiling sonenorm_f.c... Compiling tresid_f.c... Compiling choleski_f.c... Compiling inverse_f.c... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/peigs/ctof' rm -f libpeigs.a ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpeigs.a comm/*.o ctof/*.o src/c/*.o src/f77/*.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpeigs.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpeigs.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/peigs' touch peigs_stamp.LINUX64 make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/peigs' Making libraries in perfm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/perfm' Compiling perfm_start.F... Compiling perfm_end.F... Compiling perfm_flop.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/perfm' Compiling dist.c... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/perfm' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/perfm' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libperfm.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libperfm.a perfm_start.o perfm_end.o perfm_flop.o dist.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libperfm.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libperfm.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libperfm.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/perfm' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/perfm' Making libraries in bq make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/bq' Compiling bq_input.F... bq_input.F:49:56: 49 | if (.not. rtdb_get(rtdb, 'bq:max_nbq', mt_int, 1, max_nbq)) | 1 ...... 523 | & mt_dbl,ncenter_tmp,charge)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling bq_data.F... Compiling bq_rtdb.F... bq_rtdb.F:109:50: 102 | if(.not. rtdb_put(irtdb,tag,mt_int,1,ncent)) | 2 ...... 109 | if(.not. rtdb_put(irtdb,tag,mt_dbl,3*ncent,dbl_mb(i_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling bq_main.F... Compiling bq_force.F... Compiling bq_checksum.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/bq' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libbq.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libbq.a bq_input.o bq_data.o bq_rtdb.o bq_main.o bq_force.o bq_checksum.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libbq.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libbq.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libbq.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/bq' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/bq' Making libraries in cons make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cons' Compiling cons_input.F... Compiling cons.F... Compiling cons_utils.F... cons.F:564:20: 564 | > mt_int,1,nfa) | 1 ...... 925 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling cons_springs.F... Compiling cons_rtdb.F... cons_springs.F:184:52: 60 | status=rtdb_get(rtdb,tag_n,mt_int,1,nhb) | 2 ...... 184 | if(rtdb_get(rtdb, 'cons:simulate', mt_log, 1, status)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling cons_data.F... cons_rtdb.F:1041:21: 1014 | if(.not.rtdb_get(rtdb,tag_n,mt_int,1,nc)) then | 2 ...... 1041 | > mt_dbl,nc,dbl_mb(i_tmp_k)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cons_rtdb.F:31:41: 25 | if(.not.rtdb_put(rtdb,tag,mt_log,1,.true.)) | 2 ...... 31 | if(.not.rtdb_put(rtdb,tag,mt_int,1,0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cons' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libcons.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libcons.a cons_input.o cons.o cons_utils.o cons_springs.o cons_rtdb.o cons_data.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libcons.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libcons.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libcons.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cons' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cons' Making libraries in NWints make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints' Compiling intgrl_input.F... Making all in simint make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/simint' Making all in module make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/simint/module' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/simint/module' Compiling nwcsim_module.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/simint/module' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/simint/module' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a nwcsim_module.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/simint/module' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/simint/module' Making all in source make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/simint/source' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/simint/source' Compiling nwcsim_facef90.F... Compiling nwcsim_hf2.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/simint/source' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/simint/source' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a nwcsim_facef90.o nwcsim_hf2.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/simint/source' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/simint/source' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/simint' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/simint' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/simint' Making all in api make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/api' Compiling cando_sp.F... cando_sp.F:294:0: 294 | #define USE_TEXAS | Warning: "USE_TEXAS" redefined :11:0: note: this is the location of the previous definition Compiling exact_mem.F... Compiling exactd_mem.F... exact_mem.F:71:54: 62 | if (.not.(rtdb_get(rtdb,'int:full_mem',Mt_Log,1,o_do_full))) | 2 ...... 71 | if (.not. rtdb_get(rtdb,'int:mem2emax',Mt_Int,1,mem2emax)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling int_1cg.F... Compiling int_1e3ov.F... Compiling int_1estv.F... Compiling int_2e2c.F... int_2e2c.F:58:0: 58 | #define USE_TEXAS | Warning: "USE_TEXAS" redefined :11:0: note: this is the location of the previous definition Compiling int_2e3c.F... Compiling int_acc.F... Compiling int_canon.F... Compiling int_chk_init.F... Compiling int_chk_sh.F... Compiling int_func_c.F... Compiling int_init.F... int_init.F:82:47: 82 | if (rtdb_get(rtdb,'int:acc_std',mt_dbl,1,val_int_acc_std)) then | 1 ...... 309 | if (rtdb_get(rtdb,'int:cando_sp',MT_LOG,1,status)) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling int_l1e3ov.F... Compiling int_l1eall.F... Compiling int_l1eh1.F... Compiling int_l1eke.F... Compiling int_l1eov.F... Compiling int_l1epe.F... Compiling int_l2e2c.F... Compiling int_l2e3c.F... Compiling int_lgen1e.F... Compiling int_mem.F... Compiling int_mpolel.F... Compiling int_mpole.F... int_mpole.F:315:72: 315 | if (Li.eq.-1) i_gen = i_gen_save | ^ Warning: 'i_gen_save' may be used uninitialized [-Wmaybe-uninitialized] int_mpole.F:103:24: 103 | integer i_gen_save, j_gen_save | ^ note: 'i_gen_save' was declared here int_mpole.F:316:72: 316 | if (Lj.eq.-1) j_gen = j_gen_save | ^ Warning: 'j_gen_save' may be used uninitialized [-Wmaybe-uninitialized] int_mpole.F:103:36: 103 | integer i_gen_save, j_gen_save | ^ note: 'j_gen_save' was declared here Compiling int_nint.F... Compiling int_pgen1e.F... Compiling int_projpole.F... int_projpole.F:168:72: 168 | if (Li.eq.-1) i_gen = i_gen_save | ^ Warning: 'i_gen_save' may be used uninitialized [-Wmaybe-uninitialized] int_projpole.F:88:24: 88 | integer i_gen_save | ^ note: 'i_gen_save' was declared here Compiling int_term.F... Compiling intd_1eh1.F... Compiling intd_1eov.F... Compiling intd_1eke.F... Compiling int_1er.F... Compiling intd_2e2c.F... Compiling intd_2e3c.F... Compiling intd_2e4c.F... intd_2e4c.F:258:33: 258 | call ycopy((nint_ck*3*4),0.0d00,0,eri,1) | 1 ...... 565 | call ycopy((nint_x*lda),eri,1,scr,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) intd_2e4c.F:286:21: 286 | call ycopy(3,0.0d00,0,roff,1) | 1 ...... 565 | call ycopy((nint_x*lda),eri,1,scr,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) intd_2e4c.F:307:31: 307 | call ycopy(nintzero, 0.0d0, 0, eri, 1) | 1 ...... 565 | call ycopy((nint_x*lda),eri,1,scr,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling intd_init.F... intd_init.F:368:50: 198 | if (rtdb_get(rtdb,'intd:cando_txs',MT_LOG,1,status)) | 2 ...... 368 | if (rtdb_get(rtdb,'intd:approxmem',MT_INT,1,intd_memtmp)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling intd_1e3ov.F... Compiling intbd_init4c.F... Compiling intbd_2e4c.F... intbd_2e4c.F:283:29: 227 | call ycopy (numint,eri,1,scr,1) | 2 ...... 283 | call ycopy((12*nint_s),0.0d00,0,eri,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) intbd_2e4c.F:293:32: 227 | call ycopy (numint,eri,1,scr,1) | 2 ...... 293 | call ycopy((3*nint_s),0.0d00,0, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling intbdd_init4c.F... Compiling intbdd_2e4c.F... intbdd_2e4c.F:236:25: 236 | call ycopy (numint,eri,1,scr,1) | 1 ...... 286 | call ycopy((78*nint_s),0.0d00,0,eri,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling intd_mpolel.F... Compiling intdd_1eh1.F... Compiling intdd_1eov.F... Compiling intdd_2e2c.F... Compiling intdd_2e4c.F... Compiling intdd_2e3c.F... Compiling intdd_init.F... intdd_init.F:228:51: 96 | if (rtdb_get(rtdb,'intdd:cando_txs',MT_LOG,1,status)) | 2 ...... 228 | if (rtdb_get(rtdb,'intdd:approxmem',MT_INT,1,intd_memtmp)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling intp_1eke.F... Compiling intp_1eov.F... Compiling intp_1epe.F... Compiling intp_2e2c.F... Compiling intp_2e3c.F... Compiling intp_mpole.F... intp_mpole.F:203:72: 203 | if (Li.eq.-1) i_gen = i_gen_save | ^ Warning: 'i_gen_save' may be used uninitialized [-Wmaybe-uninitialized] intp_mpole.F:83:24: 83 | integer i_gen_save, j_gen_save | ^ note: 'i_gen_save' was declared here intp_mpole.F:204:72: 204 | if (Lj.eq.-1) j_gen = j_gen_save | ^ Warning: 'j_gen_save' may be used uninitialized [-Wmaybe-uninitialized] intp_mpole.F:83:36: 83 | integer i_gen_save, j_gen_save | ^ note: 'j_gen_save' was declared here Compiling intp_1e1cpe.F... Compiling intp_2e3ct.F... Compiling intp_mpolel.F... intp_mpolel.F:202:10: 202 | if ((num_int+l_int*ij_int_x).gt.lmpint) then | ^ Warning: 'num_int' is used uninitialized [-Wuninitialized] intp_mpolel.F:121:46: 121 | integer l_int, ij_int, ij_int_x, num_int | ^ note: 'num_int' declared here Compiling intp_txyz.F... Compiling intpd_1e1cpe.F... Compiling intpd_1eke.F... Compiling intpd_1eov.F... Compiling intpd_1epe.F... Compiling intpd_2e2c.F... Compiling intpd_2e3c.F... Compiling intpd_2e3ct.F... Compiling intpd_mpolel.F... Compiling intso_1e.F... Compiling intd_1eso.F... Compiling int_1epvpe.F... Compiling int_1epxvpe.F... Compiling int_vstat1e.F... Compiling intdd_1eecp1.F... Compiling int_1eelec.F... Compiling int_giaoh01.F... Compiling int_giaoh11.F... Compiling int_giaol10.F... Compiling int_giaos10.F... Compiling int_giaotv10.F... Compiling int_giaobq10.F... Compiling int_giao_2e.F... Compiling int_pso.F... Compiling int_dso.F... Compiling int_ops.F... Compiling intd_1epot.F... Compiling intd_1epot_cosmo.F... Compiling int_veloc.F... Compiling int_angmom.F... Compiling int_giaos100.F... Compiling cosmo_screen.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/api' Compiling int_hf1sp.F... int_hf1sp.F:597:56: 597 | c:tex-10 & (x$|$z) & (y$|$x) & 10 $\rightarrow$ 8 \\ | Warning: backslash and newline separated by space Compiling int_l2e4c.F... Compiling intb_init4c.F... Compiling intb_2e4c.F... Compiling int_2e4c.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/api' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/api' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a cando_sp.o exact_mem.o exactd_mem.o int_1cg.o int_1e3ov.o int_1estv.o int_2e2c.o int_2e3c.o int_acc.o int_canon.o int_chk_init.o int_chk_sh.o int_func_c.o int_init.o int_l1e3ov.o int_l1eall.o int_l1eh1.o int_l1eke.o int_l1eov.o int_l1epe.o int_l2e2c.o int_l2e3c.o int_lgen1e.o int_mem.o int_mpolel.o int_mpole.o int_nint.o int_pgen1e.o int_projpole.o int_term.o intd_1eh1.o intd_1eov.o intd_1eke.o int_1er.o intd_2e2c.o intd_2e3c.o intd_2e4c.o intd_init.o intd_1e3ov.o intbd_init4c.o intbd_2e4c.o intbdd_init4c.o intbdd_2e4c.o intd_mpolel.o intdd_1eh1.o intdd_1eov.o intdd_2e2c.o intdd_2e4c.o intdd_2e3c.o intdd_init.o intp_1eke.o intp_1eov.o intp_1epe.o intp_2e2c.o intp_2e3c.o intp_mpole.o intp_1e1cpe.o intp_2e3ct.o intp_mpolel.o intp_txyz.o intpd_1e1cpe.o intpd_1eke.o intpd_1eov.o intpd_1epe.o intpd_2e2c.o intpd_2e3c.o intpd_2e3ct.o intpd_mpolel.o intso_1e.o intd_1eso.o int_1epvpe.o int_1epxvpe.o int_vstat1e.o intdd_1eecp1.o int_1eelec.o int_giaoh01.o int_giaoh11.o int_giaol10.o int_giaos10.o int_giaotv10.o int_giaobq10.o int_giao_2e.o int_pso.o int_dso.o int_ops.o intd_1epot.o intd_1epot_cosmo.o int_veloc.o int_angmom.o int_giaos100.o cosmo_screen.o int_hf1sp.o int_l2e4c.o intb_init4c.o intb_2e4c.o int_2e4c.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/api' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/api' Making all in int make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/int' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/int' Compiling hf3PEabc.F... Compiling hf3mkr.f... Compiling hf3pot.F... Compiling defNxyz.F... Compiling getNxyz.F... Compiling matchNxyz.F... Compiling hf1.F... Compiling hf1mke3.f... hf1.F:190:72: 190 | i_ptr = i_Ep + 3*NPP*(MXD+1)*lprod | ^ Warning: 'npp' may be used uninitialized [-Wmaybe-uninitialized] hf1.F:31:25: 31 | integer MXD,NCP,NPP,La2,Lb2,Li,Lp,Lp3,MaxMem,nintlocal,lprod,nd | ^ note: 'npp' declared here Compiling hf1mkr.f... Compiling hf1set3.F... Compiling hf2.F... Compiling hf2mkr.F... Compiling hf2oi.f... Compiling hf3OIs.f... Compiling hfabc.f... Compiling hfctr3.f... Compiling hferi.F... Compiling hferi_gen.F... Compiling hfkei.f... Compiling hfmke.F... Compiling hfmkr.F... Compiling hfnai.f... Compiling hfset.F... Compiling igamma.F... Compiling hf_print.f... Compiling hfreord_pq.f... Compiling hf1_tran.F... Compiling hf1_er.F... Compiling hfnai_er.F... Compiling case_impl.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/int' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/int' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a hf3PEabc.o hf3mkr.o hf3pot.o defNxyz.o getNxyz.o matchNxyz.o hf1.o hf1mke3.o hf1mkr.o hf1set3.o hf2.o hf2mkr.o hf2oi.o hf3OIs.o hfabc.o hfctr3.o hferi.o hferi_gen.o hfkei.o hfmke.o hfmkr.o hfnai.o hfset.o igamma.o hf_print.o hfreord_pq.o hf1_tran.o hf1_er.o hfnai_er.o case_impl.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/int' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/int' Making all in auxil make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/auxil' Compiling do_chk_sum.F... Compiling intb_chk_sum.F... intb_chk_sum.F:129:21: 72 | if (rtdb_get(rtdb,'intcsum:b2e4cprint',MT_LOG,1,dumm69)) then | 2 ...... 129 | & MT_INT,1,int_tmp)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling xlmcoeff.F... Compiling xlm_norm.F... Compiling int_spcart2.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/auxil' Compiling int_norm.F... Compiling nmcoef.F... Compiling int_norm_2c.F... Compiling int_chk_sum.F... Compiling int_spcart.F... Compiling nmcoef2c.F... int_spcart.F:824:39: 824 | call ycopy((ndima*(2*ls+1)*ngls),0.0d00,0,blockout,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:935:45: 935 | call ycopy((ndima*ndimb*(2*ls+1)*ngls),0.0d00,0,blockout,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:704:39: 704 | call ycopy((ndima*(2*ls+1)*ngls),0.0d00,0,blockout,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3050:27: 3050 | call ycopy((ni*nj),0.0d00,0,dbl_mb(k_slice),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:324:29: 324 | call ycopy((ld2s*ld2s),0.0d00,0,dbl_mb(k_ov),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:328:33: 328 | call ycopy((ld2s*(2*ld+1)),0.0d00,0,dbl_mb(k_scr),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3155:20: 3155 | call ycopy (3,0.0d00,0,xyz,1) ! do it at the origin | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3186:26: 3186 | call ycopy(scr_size,0.0d00,0,dbl_mb(k_scr),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3191:33: 3191 | call ycopy((rankov*rankov),0.0d00,0,overlap,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:414:34: 414 | call ycopy ((2*Ld+1)*(Ld+1),0.0d00,0,cart_scale,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:79:27: 79 | call ycopy(size_sp2c,0.0d00,0,dbl_mb(k_sp2c),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:113:30: 113 | call ycopy(l_block_size,0.0d00,0,dbl_mb(k_sp2c_cmp),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:121:30: 121 | call ycopy(l_block_size,0.0d00,0,dbl_mb(k_invsp2c_cmp),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:130:43: 130 | call ycopy(((2*lmaxin+1)*(lmaxin+1)),0.0d00,0, | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3113:29: 3113 | call ycopy((ni*nj),0.0d00,0,dbl_mb(k_slice),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/auxil' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/auxil' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a do_chk_sum.o intb_chk_sum.o xlmcoeff.o xlm_norm.o int_spcart2.o int_norm.o nmcoef.o int_norm_2c.o int_chk_sum.o int_spcart.o nmcoef2c.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/auxil' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/auxil' Making all in ints_sp make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/ints_sp' Compiling sp1111.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/ints_sp' Compiling genr70.F... Compiling init70.F... Compiling qout70.F... Compiling sinfo.F... Compiling sp0000.F... Compiling sp0001.F... Compiling sp0011.F... Compiling sp0101.F... Compiling sp0111.F... Compiling tabgen.f... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/ints_sp' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/ints_sp' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a sp1111.o genr70.o init70.o qout70.o sinfo.o sp0000.o sp0001.o sp0011.o sp0101.o sp0111.o tabgen.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/ints_sp' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/ints_sp' Making all in deriv make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/deriv' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/deriv' Compiling hf1d.F... Compiling hf2d.F... Compiling hfd2oi.f... Compiling hfderi.F... Compiling hfdkei.F... Compiling hfdnai.f... hfderi.F:246:16: 246 | if( kl.gt.ij ) go to 480 | ^ Warning: 'ij' may be used uninitialized [-Wmaybe-uninitialized] hfderi.F:120:15: 120 | ij = (ma*(ma-1))/2 + mb | ^ note: 'ij' was declared here Compiling hfefi.f... Compiling hf2d_2a.F... Compiling hf2d_2b.F... Compiling hf2d_2a2b.F... Compiling hf2d_3a.F... Compiling hf2d_3a2b.F... Compiling hf2d_all.F... Compiling hf1PRtoAB.f... Compiling hf2PRtoAB.f... Compiling hf2QStoCD.f... Compiling hfd3oi.F... Compiling hf1d_cosmo.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/deriv' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/deriv' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a hf1d.o hf2d.o hfd2oi.o hfderi.o hfdkei.o hfdnai.o hfefi.o hf2d_2a.o hf2d_2b.o hf2d_2a2b.o hf2d_3a.o hf2d_3a2b.o hf2d_all.o hf1PRtoAB.o hf2PRtoAB.o hf2QStoCD.o hfd3oi.o hf1d_cosmo.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/deriv' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/deriv' Making all in texas make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/texas' Compiling abcd.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/texas' Compiling texas_face.F... texas_face.F:1064:72: 1064 | * iprint,ncs,inx(inxx),ntxs_scr_size) | 1 Warning: Type mismatch in argument 'ishell_blk' at (1); passed REAL(8) to INTEGER(8) texas_face.F:1463:48: 1353 | if (rtdb_get(rtdb,'int:txs:icheck',MT_INT,1,int_tmp)) then | 2 ...... 1463 | if (rtdb_get(rtdb,'int:txs:limi',MT_INT,3,rtdblim)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) texas_face.F:1552:19: 1552 | common /ganz/ ll9(9) ,na,nn4(4) | 1 Warning: Named COMMON block 'ganz' at (1) shall be of the same size as elsewhere (112 vs 672 bytes) texas_face.F:1159:19: 1159 | common /ganz/ lcore,iov,last,nganz(67) | 1 Warning: Named COMMON block 'ganz' at (1) shall be of the same size as elsewhere (560 vs 672 bytes) texas_face.F:523:25: 523 | common /ctxs_index/ maxsh,ifp,inx(mxsh) | 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (1520016 vs 24 bytes) texas_face.F:1757:25: 1757 | common /ctxs_index/ maxsh,ifp,inx(1) | 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (24 vs 1520016 bytes) texas_face.F:1917:25: 1917 | common /ctxs_index/ maxsh,ifp,inx(1) | 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (24 vs 1520016 bytes) Compiling texas_hf.F... texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'ncshell' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'icstxs' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'jcstxs' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'kcstxs' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'lcstxs' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'klblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isupblk' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'nblock1_back' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'iqorder' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:485:72: 485 | * bl(iqorder),ngcont) | 1 Warning: Type mismatch in argument 'itxspnl' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:485:72: 485 | * bl(iqorder),ngcont) | 1 Warning: Type mismatch in argument 'iqorder' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:493:72: 493 | call supblks_point(nsupblk,bl(isblsize),bl(isblpoint)) | 1 Warning: Type mismatch in argument 'isbl_size' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:493:72: 493 | call supblks_point(nsupblk,bl(isblsize),bl(isblpoint)) | 1 Warning: Type mismatch in argument 'isbl_point' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'maxsize' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'maxpair' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'klblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_point' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'klblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_split' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:521:72: 521 | call blk_capab(nbl2,bl(npard),bl(isblsize),nquart,nquartot) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:521:72: 521 | call blk_capab(nbl2,bl(npard),bl(isblsize),nquart,nquartot) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:936:72: 936 | call tfer_i(bltxs(npard_R), blscr(npard), npard_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:936:72: 936 | call tfer_i(bltxs(npard_R), blscr(npard), npard_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:937:72: 937 | call tfer_i(bltxs(mxsize_R),blscr(mxsize), mxsize_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:937:72: 937 | call tfer_i(bltxs(mxsize_R),blscr(mxsize), mxsize_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:938:72: 938 | call tfer_i(bltxs(mxpair_R),blscr(mxpair), mxpair_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:938:72: 938 | call tfer_i(bltxs(mxpair_R),blscr(mxpair), mxpair_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:939:72: 939 | call tfer_i(bltxs(nblock1_R),blscr(nblock1), nblock1_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:939:72: 939 | call tfer_i(bltxs(nblock1_R),blscr(nblock1), nblock1_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:941:72: 941 | * (bltxs(nblock1_back_R),blscr(nblock1_back), nblock1_back_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:941:72: 941 | * (bltxs(nblock1_back_R),blscr(nblock1_back), nblock1_back_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) Compiling big_service.F... big_service.F:805:72: 805 | s=zero | ^ Warning: 'zero' is used uninitialized [-Wuninitialized] big_service.F:805:12: 805 | s=zero | ^ note: 'zero' was declared here Compiling getmem.F... Compiling amshift.F... amshift.F:82:72: 82 | call make_indxx(bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:141:72: 141 | * bl(indxx),lni*lnj,lnk*lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:168:72: 168 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:180:72: 180 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:195:72: 195 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:219:72: 219 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:251:72: 251 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:299:72: 299 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:341:72: 341 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) Compiling assemblx.F... assemblx.F:1438:72: 1438 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1456:72: 1456 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1473:72: 1473 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1491:72: 1491 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1506:72: 1506 | * bl(indx),ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1519:72: 1519 | * bl(indx), ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1531:72: 1531 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1543:72: 1543 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1555:72: 1555 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1567:72: 1567 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1582:72: 1582 | * lck,lcij,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1593:72: 1593 | * lcl,lcij,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1604:72: 1604 | * lci,lckl,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1615:72: 1615 | * lcj,lckl,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1626:72: 1626 | * lcij,lckl,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:680:72: 680 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:680:72: 680 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:698:72: 698 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:698:72: 698 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:715:72: 715 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:715:72: 715 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:733:72: 733 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:733:72: 733 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:748:72: 748 | * bl(idx1),bl(indx),ij3b,kl3b) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:748:72: 748 | * bl(idx1),bl(indx),ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:761:72: 761 | * bl(idx2),bl(indx), ij3b,kl3b) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:761:72: 761 | * bl(idx2),bl(indx), ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:773:72: 773 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:773:72: 773 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:773:72: 773 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:785:72: 785 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:785:72: 785 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:785:72: 785 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:797:72: 797 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:797:72: 797 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:797:72: 797 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:809:72: 809 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:809:72: 809 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:809:72: 809 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:824:72: 824 | * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:824:72: 824 | * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:824:72: 824 | * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:835:72: 835 | * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:835:72: 835 | * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:835:72: 835 | * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:846:72: 846 | * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:846:72: 846 | * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:846:72: 846 | * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:857:72: 857 | * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:857:72: 857 | * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:857:72: 857 | * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:868:72: 868 | * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:868:72: 868 | * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:868:72: 868 | * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:55:72: 55 | * bl(ibuf2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:64:72: 64 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:69:72: 69 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:76:72: 76 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:81:72: 81 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:91:72: 91 | * bl(iaax),bl(ibbx),bl(iccx),bl(iexpo)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:96:72: 96 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) Compiling spec_block.F... Compiling cshneg.f... spec_block.F:84:72: 84 | * bl(nblock1),nbl1,nbl2,nbl4) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:94:72: 94 | call make_nblock1_back(ncs,nbl1,bl(nblock1),bl(nblock1_back)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:94:72: 94 | call make_nblock1_back(ncs,nbl1,bl(nblock1),bl(nblock1_back)) | 1 Warning: Type mismatch in argument 'nblock1_back' at (1); passed REAL(8) to INTEGER(8) spec_block.F:114:72: 114 | call blk_pairs(nbl1,nbl2,bl(nblock1),bl(npard)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:114:72: 114 | call blk_pairs(nbl1,nbl2,bl(nblock1),bl(npard)) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'mxsize' at (1); passed REAL(8) to INTEGER(8) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'mxpair' at (1); passed REAL(8) to INTEGER(8) spec_block.F:41:72: 41 | call block_info(inx,bl(nblock1),bl(npard),nbl2) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:41:72: 41 | call block_info(inx,bl(nblock1),bl(npard),nbl2) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nqrt' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nibl' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nkbl' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nijb' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nije' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nklb' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nkle' at (1); passed REAL(8) to INTEGER(8) Compiling d_datlog.F... Compiling spec_calcint.F... spec_calcint.F:102:72: 102 | call doblock2(ibl,bl(ijblock),idoit) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:106:72: 106 | call doblock2(kbl,bl(klblock),jdoit) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:111:72: 111 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:111:72: 111 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:114:72: 114 | * isbdo,bl(isbl_split) ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:114:72: 114 | * isbdo,bl(isbl_split) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:114:72: 114 | * isbdo,bl(isbl_split) ) | 1 Warning: Type mismatch in argument 'isbl_split' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:126:72: 126 | call get_nparts(isupb,bl(isbl_part),nparts) | 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:134:72: 134 | * bl(isbl_copy) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:134:72: 134 | * bl(isbl_copy) ) | 1 Warning: Type mismatch in argument 'isbl_copy' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:136:72: 136 | * bl(isbl_copy),maxsize) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:136:72: 136 | * bl(isbl_copy),maxsize) | 1 Warning: Type mismatch in argument 'isbl_copy' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:158:72: 158 | * bl(ijpres2),bl(klpres2) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:158:72: 158 | * bl(ijpres2),bl(klpres2) ) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:158:72: 158 | * bl(ijpres2),bl(klpres2) ) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_split' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_copy' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nibl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nkbl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nijb' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nije' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nklb' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nkle' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nblok1' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nqrt' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:379:72: 379 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:379:72: 379 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'ijklpres' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:406:72: 406 | * bl(isymm),nblspec) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:406:72: 406 | * bl(isymm),nblspec) | 1 Warning: Type mismatch in argument 'ijklpres' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'map_ij' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'map_kl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'indxij' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'indxkl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'ipres' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'indxp' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1404:72: 1404 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1404:72: 1404 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1455:72: 1455 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1455:72: 1455 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1459:72: 1459 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1459:72: 1459 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:893:72: 893 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:893:72: 893 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:897:72: 897 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:897:72: 897 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1793:72: 1793 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1793:72: 1793 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1815:72: 1815 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1815:72: 1815 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1819:72: 1819 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1819:72: 1819 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1237:72: 1237 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1237:72: 1237 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1241:72: 1241 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1241:72: 1241 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'map_ij' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'map_kl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:41:72: 41 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:41:72: 41 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:41:72: 41 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'mxsize' at (1); passed REAL(8) to INTEGER(8) Compiling spec_destiny.F... Compiling memoha.F... Compiling precalc2.F... precalc2.F:34:72: 34 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:42:72: 42 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:75:72: 75 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:83:72: 83 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:312:72: 312 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:317:72: 317 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:336:72: 336 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:341:72: 341 | * nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:351:72: 351 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:351:72: 351 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:357:72: 357 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:357:72: 357 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1346:72: 1346 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1370:72: 1370 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1390:72: 1390 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1390:72: 1390 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(8) Compiling prepint.F... Compiling lab_reorder.F... precalc2.F:1623:72: 1623 | fctpp= abs( est_ip*est_jp ) | ^ Warning: 'est_ip' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1524:24: 1524 | est_ip=1.0d0 | ^ note: 'est_ip' was declared here precalc2.F:1616:72: 1616 | fctp= abs( est_is*est_jp ) | ^ Warning: 'est_is' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1523:24: 1523 | est_is=csi | ^ note: 'est_is' was declared here precalc2.F:1616:72: 1616 | fctp= abs( est_is*est_jp ) | ^ Warning: 'est_jp' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1549:24: 1549 | est_jp=1.0d0 | ^ note: 'est_jp' was declared here precalc2.F:1628:72: 1628 | factab=factab*contrij | ^ Warning: 'factab' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1606:25: 1606 | factab=abs( est_is*est_js ) | ^ note: 'factab' was declared here Compiling rt123.F... Compiling shells.F... Compiling time.f... precalc2.F:579:72: 579 | fctpp= abs( est_ip*est_jp ) | ^ Warning: 'est_ip' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:488:24: 488 | est_ip=1.d0 | ^ note: 'est_ip' was declared here precalc2.F:572:72: 572 | fctp= abs( est_is*est_jp ) | ^ Warning: 'est_jp' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:517:24: 517 | est_jp=1.d0 | ^ note: 'est_jp' was declared here precalc2.F:584:72: 584 | factab=factab*contrij | ^ Warning: 'factab' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:562:25: 562 | factab=abs( est_is*est_js ) | ^ note: 'factab' was declared here Compiling zeroint.F... zeroint.F:41:72: 41 | call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) zeroint.F:41:72: 41 | call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:41:72: 41 | call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) | 1 Warning: Type mismatch in argument 'idpres' at (1); passed REAL(8) to INTEGER(8) zeroint.F:45:72: 45 | call zerosp(lnijkl,nbls,bl(ibuf),bl(idxnot),nbls2,ngcd) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:57:72: 57 | * bl(ibut2),l01,l02,nfu(nqij)+1,nfu(nqkl)+1 ) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:70:72: 70 | * bl(ibut2 ),lqij,l02,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:86:72: 86 | * bl(ibut2 ),lqij,l02,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:101:72: 101 | * bl(ibut2 ),l01,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:116:72: 116 | * bl(ibut2 ),l01,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:132:72: 132 | * bl(ibut2 ),lij3,l02,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:146:72: 146 | * bl(ibut2 ),l01,lkl3,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:160:72: 160 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:174:72: 174 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:188:72: 188 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:202:72: 202 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:218:72: 218 | * bl(ibut2 ),lqmx,l3l,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:230:72: 230 | * bl(ibut2 ),lqmx,l3l,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:242:72: 242 | * bl(ibut2 ),l3l,lqmx,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:254:72: 254 | * bl(ibut2 ),l3l,lqmx,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:269:72: 269 | * bl(ibut2 ),lsss,lsss,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) Compiling missing.f... Compiling texas_stubs.F... texas_stubs.F:7:0: 7 | #define USE_TEXAS | Warning: "USE_TEXAS" redefined :11:0: note: this is the location of the previous definition Compiling uniq_pairs.F... uniq_pairs.F:73:72: 73 | call do_tmp1(isbl_size,isbl_q,ijpres2,bl(ij_temp),iqu ) | 1 Warning: Type mismatch in argument 'ij_temp' at (1); passed REAL(8) to INTEGER(8) uniq_pairs.F:74:72: 74 | call do_uniq(iqu,bl(ij_temp), ibl_uniqe ,ij_u) | 1 Warning: Type mismatch in argument 'itmp' at (1); passed REAL(8) to INTEGER(8) uniq_pairs.F:40:72: 40 | * bl(ij_uniqe) , nij_uniqe ) | 1 Warning: Type mismatch in argument 'ibl_uniqe' at (1); passed REAL(8) to INTEGER(8) uniq_pairs.F:42:72: 42 | * bl(kl_uniqe) , nkl_uniqe ) | 1 Warning: Type mismatch in argument 'ibl_uniqe' at (1); passed REAL(8) to INTEGER(8) Compiling transfor.F... Compiling gencon.f... gencon.f:352:72: 352 | * bl(indx),nbls1, ngcd,bl(igcoet) ) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) gencon.f:366:72: 366 | * bl(igc_ax),bl(igc_bx),bl(igc_cx) ) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) gencon.f:370:72: 370 | * bl(igc_ax),bl(igc_bx),bl(igc_cx) ) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) Compiling derivat.F... Compiling convert.f... Compiling test_calc2.f... Compiling screened_op.F... Compiling trobsa.F... trobsa.F:292:72: 292 | call find_unstable(stable,nbls1, bl(iq_u),nbls1_u) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:329:72: 329 | call copy_unstable_1(nbls1,bl(iq_u),nbls1_u,bl(irys),bl(iconst)) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:364:72: 364 | * bl(irhocpd_u),bl(icdnix_u),bl(ixqnx_u),bl(ixwq_u)) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:372:72: 372 | * bl(ip1234),bl(iabcd),bl(ihabcdx) ) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:382:72: 382 | * bl(iwt0),bl(iwt0_u),lnij,lnkl) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'iq_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:291:31: 291 | call memo1_int(nbls1,iq_u) | ^ note: 'iq_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'irhoapb_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:316:37: 316 | call getmem(nbls1_u, irhoapb_u ) ! rhoapb & rhocpd | ^ note: 'irhoapb_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'iabnix_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:317:45: 317 | call getmem(nbls1_u*(mmax_1), iabnix_u ) ! abnix & cdnix | ^ note: 'iabnix_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'ixpnx_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:318:37: 318 | call getmem(nbls1_u*3, ixpnx_u ) ! xpnx & xqnx | ^ note: 'ixpnx_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'ixwp_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:319:36: 319 | call getmem(nbls1_u*3, ixwp_u ) ! xwp & xwq | ^ note: 'ixwp_u' declared here trobsa.F:353:72: 353 | * nsij,nskl,1) | ^ Warning: 'iwt0_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:315:44: 315 | call getmem(nbls1_u*lnij*lnkl, iwt0_u) | ^ note: 'iwt0_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'iq_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:291:31: 291 | call memo1_int(nbls1,iq_u) | ^ note: 'iq_u' declared here trobsa.F:353:72: 353 | * nsij,nskl,1) | ^ Warning: 'iwt0_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:315:44: 315 | call getmem(nbls1_u*lnij*lnkl, iwt0_u) | ^ note: 'iwt0_u' declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/texas' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/texas' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a abcd.o texas_face.o texas_hf.o big_service.o getmem.o amshift.o assemblx.o spec_block.o cshneg.o d_datlog.o spec_calcint.o spec_destiny.o memoha.o precalc2.o prepint.o lab_reorder.o rt123.o shells.o time.o zeroint.o missing.o texas_stubs.o uniq_pairs.o transfor.o gencon.o derivat.o convert.o test_calc2.o screened_op.o trobsa.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/texas' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/texas' Making all in ecp make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/ecp' Compiling ecp_sph_tens.f... Compiling int_ecp.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/ecp' int_ecp.F:216:10: 216 | if (n_zeta_c_e.ne.n_zeta_c_c) then | ^ Warning: 'n_zeta_c_c' may be used uninitialized [-Wmaybe-uninitialized] int_ecp.F:43:24: 43 | integer n_zeta_c_c ! length of ecp coefficient array | ^ note: 'n_zeta_c_c' was declared here int_ecp.F:216:10: 216 | if (n_zeta_c_e.ne.n_zeta_c_c) then | ^ Warning: 'n_zeta_c_e' may be used uninitialized [-Wmaybe-uninitialized] int_ecp.F:42:24: 42 | integer n_zeta_c_e ! length of ecp exponent array | ^ note: 'n_zeta_c_e' was declared here Compiling ecp_3j_prod.f... Compiling ecp_angint.f... Compiling ecp_angrad.f... Compiling ecp_bess_asy.F... Compiling ecp_bess_pow.f... Compiling ecp_bessel.f... Compiling ecp_c2slower.f... Compiling ecp_c2snorm.F... ecp_c2snorm.F:42:72: 42 | wa = wa/sqrt(wb*wc) | ^ Warning: 'wa' may be used uninitialized [-Wmaybe-uninitialized] ecp_c2snorm.F:20:25: 20 | double precision wa,wb,wc,zero,half | ^ note: 'wa' was declared here Compiling ecp_c2srecur.f... Compiling ecp_cart_xpd.F... ecp_cart_xpd.F:117:32: 102 | call ycopy(m-a+1,zero,0,tmp(ind_n,ind_m+1),n_n) | 2 ...... 117 | call ycopy (n_n*ind_m,tmp,1,coef(1,ind_s),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling ecp_contract.f... Compiling ecp_cstrans.F... Compiling ecp_down_m.f... Compiling ecp_gaussq.f... Compiling ecp_init_c2s.F... Compiling ecp_init_con.F... Compiling ecp_int0.F... Compiling ecp_int1.F... Compiling ecp_int2.F... Compiling ecp_integral.F... Compiling ecp_matpi.F... Compiling ecp_matpr.F... Compiling ecp_radint0.F... Compiling ecp_radint1.F... Compiling ecp_radint2.F... Compiling ecp_s2ccoef.f... Compiling ecp_s2cnorm.F... Compiling ecp_so_ang.F... Compiling ecp_t1_Q0asy.F... Compiling ecp_t1_Q0int.F... Compiling ecp_t1_Q0pow.F... Compiling ecp_t1_Q1asy.F... Compiling ecp_t1_Q1int.F... Compiling ecp_t1_Q1pow.F... Compiling ecp_t1_Q2int.F... Compiling ecp_t2_ghq.F... Compiling ecp_t2_init0.f... Compiling ecp_t2_init1.f... Compiling ecp_t2_init2.F... Compiling ecp_t2_p0pow.F... Compiling ecp_t2_p1pow.F... Compiling ecp_up_k.f... Compiling ecp_local0.F... Compiling ecp_local1.F... Compiling ecp_local2.F... Compiling ecp_locint1.F... ecp_locint1.F:56:42: 56 | & coeff_c(n_c),tol,wa,wb,wc,prefac | ^ Warning: 'prefac' may be used uninitialized [-Wmaybe-uninitialized] Compiling ecp_skipint.F... Compiling ecp_t1_Q3asy.F... Compiling ecp_t1_Q3int.F... Compiling ecp_t1_Q3pow.F... Compiling ecp_t1_Q4int.F... Compiling ecp_t2_init3.f... Compiling ecp_t2_init4.f... Compiling ecp_t2_p3pow.F... Compiling ecp_t2_p4pow.F... Compiling ecp_ind_var.f... Compiling ecp_gradient.F... Compiling ecp_grad_a.F... Compiling ecp_grad_b.F... Compiling ecp_hessian.F... Compiling ecp_int2_k.F... Compiling ecp_local2_k.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/ecp' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/ecp' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a ecp_sph_tens.o int_ecp.o ecp_3j_prod.o ecp_angint.o ecp_angrad.o ecp_bess_asy.o ecp_bess_pow.o ecp_bessel.o ecp_c2slower.o ecp_c2snorm.o ecp_c2srecur.o ecp_cart_xpd.o ecp_contract.o ecp_cstrans.o ecp_down_m.o ecp_gaussq.o ecp_init_c2s.o ecp_init_con.o ecp_int0.o ecp_int1.o ecp_int2.o ecp_integral.o ecp_matpi.o ecp_matpr.o ecp_radint0.o ecp_radint1.o ecp_radint2.o ecp_s2ccoef.o ecp_s2cnorm.o ecp_so_ang.o ecp_t1_Q0asy.o ecp_t1_Q0int.o ecp_t1_Q0pow.o ecp_t1_Q1asy.o ecp_t1_Q1int.o ecp_t1_Q1pow.o ecp_t1_Q2int.o ecp_t2_ghq.o ecp_t2_init0.o ecp_t2_init1.o ecp_t2_init2.o ecp_t2_p0pow.o ecp_t2_p1pow.o ecp_up_k.o ecp_local0.o ecp_local1.o ecp_local2.o ecp_locint1.o ecp_skipint.o ecp_t1_Q3asy.o ecp_t1_Q3int.o ecp_t1_Q3pow.o ecp_t1_Q4int.o ecp_t2_init3.o ecp_t2_init4.o ecp_t2_p3pow.o ecp_t2_p4pow.o ecp_ind_var.o ecp_gradient.o ecp_grad_a.o ecp_grad_b.o ecp_hessian.o ecp_int2_k.o ecp_local2_k.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/ecp' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/ecp' Making all in hondo make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/hondo' Compiling hnd_vstat.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/hondo' Compiling hnd_whermt.F... Compiling hnd_rt123.F... Compiling hnd_root4.F... Compiling hnd_root5.F... Compiling hnd_droot.F... Compiling hnd_1emem.F... Compiling hnd_init.F... Compiling hnd_set_acc.F... Compiling hnd_stvint.F... Compiling hnd_sxyz.F... hnd_sxyz.F:18:40: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'ax' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:44: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'ay' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:48: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'az' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:52: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'bx' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:56: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'by' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:60: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'bz' may be used uninitialized [-Wmaybe-uninitialized] Compiling hnd_txyz.F... Compiling hnd_initd.F... Compiling hnd_d1emem.F... Compiling hnd_stvintd.F... Compiling hnd_dderij.F... Compiling hnd_sd_ij.F... Compiling hnd_tvd_ij.F... Compiling hnd_ddtxyz.F... Compiling hnd_hlf_ij.F... Compiling hnd_dervxyz.F... Compiling hnd_initdd.F... Compiling hnd_dd1emem.F... Compiling hnd_stvintdd.F... Compiling hnd_hlfd_ij.F... Compiling hnd_deriaj.F... Compiling hnd_terminate.F... Compiling hnd_denxyz.F... Compiling hnd_elfder.F... Compiling hnd_giaoh01.F... Compiling hnd_giaoh11.F... Compiling hnd_giaol10.F... Compiling hnd_giaos10.F... Compiling hnd_giaotv10.F... Compiling hnd_giaobq10.F... Compiling hnd_giao_init.F... Compiling hnd_giao_1emem.F... Compiling hnd_giao_2emem.F... Compiling hnd_giagnm.F... hnd_giagnm.F:56:13: 54 | do 70 m=2,max | 2 55 | do 70 ig=1,ng 56 | 70 b00(ig,m)=b00(ig,m-1)+b00(ig,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:64:13: 62 | do 80 n=2,nmax-1 | 2 63 | do 80 ig=1,ng 64 | b10(ig,n)=b10(ig,n-1)+b10(ig,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:81:29: 79 | do 100 n=2,nmax-1 | 2 80 | do 100 ig=1,ng 81 | gnm(ig,1,n+1,2)=b00(ig,n)*gnm(ig,1,n,1)+d00(ig,1)*gnm(ig,1,n+1,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:82:29: 79 | do 100 n=2,nmax-1 | 2 ...... 82 | gnm(ig,2,n+1,2)=b00(ig,n)*gnm(ig,2,n,1)+d00(ig,2)*gnm(ig,2,n+1,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:83:29: 79 | do 100 n=2,nmax-1 | 2 ...... 83 | gnm(ig,3,n+1,2)=b00(ig,n)*gnm(ig,3,n,1)+d00(ig,3)*gnm(ig,3,n+1,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:95:13: 93 | do 130 m=2,mmax-1 | 2 94 | do 130 ig=1,ng 95 | b01(ig,m)=b01(ig,m-1)+b01(ig,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:112:29: 110 | do 150 m=2,mmax-1 | 2 111 | do 150 ig=1,ng 112 | gnm(ig,1,2,m+1)=b00(ig,m)*gnm(ig,1,1,m)+c00(ig,1)*gnm(ig,1,1,m+1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:113:29: 110 | do 150 m=2,mmax-1 | 2 ...... 113 | gnm(ig,2,2,m+1)=b00(ig,m)*gnm(ig,2,1,m)+c00(ig,2)*gnm(ig,2,1,m+1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:114:29: 110 | do 150 m=2,mmax-1 | 2 ...... 114 | gnm(ig,3,2,m+1)=b00(ig,m)*gnm(ig,3,1,m)+c00(ig,3)*gnm(ig,3,1,m+1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:129:31: 124 | do 180 m=2,mmax-1 | 2 ...... 129 | 2 b00(ig,m )*gnm(ig,1,n ,m ) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:132:31: 124 | do 180 m=2,mmax-1 | 2 ...... 132 | 2 b00(ig,m )*gnm(ig,2,n ,m ) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:135:31: 124 | do 180 m=2,mmax-1 | 2 ...... 135 | 2 b00(ig,m )*gnm(ig,3,n ,m ) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling hnd_giaspd.F... Compiling hnd_jkbcdf.F... Compiling hnd_oechrg.F... Compiling hnd_xyzgia.F... Compiling hnd_giahnd.F... Compiling hnd_giaxyz.F... Compiling hnd_jkwrys.F... Compiling hnd_spdgia.F... Compiling hnd_pso.F... Compiling hnd_ops.F... Compiling hnd_dso.F... Compiling hnd_wleg.F... Compiling hnd_herxyz.F... Compiling hnd_init_1eelec.F... Compiling hnd_init_dso.F... Compiling hnd_init_1emtpl.F... Compiling hnd_init_pso.F... Compiling hnd_init_ops.F... Compiling hnd_veloc.F... Compiling hnd_angmom.F... Compiling hnd_dipxyz.F... Compiling hnd_init_dip.F... Compiling hnd_giaos100.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/hondo' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/hondo' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a hnd_vstat.o hnd_whermt.o hnd_rt123.o hnd_root4.o hnd_root5.o hnd_droot.o hnd_1emem.o hnd_init.o hnd_set_acc.o hnd_stvint.o hnd_sxyz.o hnd_txyz.o hnd_initd.o hnd_d1emem.o hnd_stvintd.o hnd_dderij.o hnd_sd_ij.o hnd_tvd_ij.o hnd_ddtxyz.o hnd_hlf_ij.o hnd_dervxyz.o hnd_initdd.o hnd_dd1emem.o hnd_stvintdd.o hnd_hlfd_ij.o hnd_deriaj.o hnd_terminate.o hnd_denxyz.o hnd_elfder.o hnd_giaoh01.o hnd_giaoh11.o hnd_giaol10.o hnd_giaos10.o hnd_giaotv10.o hnd_giaobq10.o hnd_giao_init.o hnd_giao_1emem.o hnd_giao_2emem.o hnd_giagnm.o hnd_giaspd.o hnd_jkbcdf.o hnd_oechrg.o hnd_xyzgia.o hnd_giahnd.o hnd_giaxyz.o hnd_jkwrys.o hnd_spdgia.o hnd_pso.o hnd_ops.o hnd_dso.o hnd_wleg.o hnd_herxyz.o hnd_init_1eelec.o hnd_init_dso.o hnd_init_1emtpl.o hnd_init_pso.o hnd_init_ops.o hnd_veloc.o hnd_angmom.o hnd_dipxyz.o hnd_init_dip.o hnd_giaos100.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/hondo' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/hondo' Making all in rel make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/rel' Compiling int_rel_init.F... Compiling rel_input.F... rel_input.F:80:64: 48 | if (.not. rtdb_put(rtdb, 'doug_kroll', mt_log, 1, dk_run)) | 2 ...... 80 | if(.not.rtdb_put(rtdb,'relativistic:clight',mt_dbl,1,clight)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling modelpotential_input.F... Compiling set_modelpotential_params.F... Compiling get_modelpotential_params.F... Compiling calc_modelpotential.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/rel' Compiling rel_onel.F... rel_onel.F:9:19: 9 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space rel_onel.F:14:19: 14 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space Compiling rel_mpole.F... Compiling rel_pvp.F... Compiling rel_pot.F... Compiling rel_pot2.F... Compiling rel_2e4c_sf.F... Compiling rel_LLSS.F... Compiling rel_SSLL.F... Compiling rel_SSSS.F... Compiling rel_init_con.F... Compiling dmd_input.F... Compiling zora_input.F... Compiling x2c_input.F... Compiling rel_oneld.F... rel_oneld.F:9:19: 9 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space rel_oneld.F:14:19: 14 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space Compiling rel_oneld_cosmo.F... rel_oneld_cosmo.F:9:19: 9 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space rel_oneld_cosmo.F:14:19: 14 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space Compiling rel_2e4cd_sf.F... rel_oneld_cosmo.F:115:17: 115 | logical doV ! compute potential (True/False) | ^ Warning: 'dov' may be used uninitialized [-Wmaybe-uninitialized] Compiling rel_LLSSd.F... Compiling rel_SSLLd.F... Compiling rel_SSSSd.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/rel' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/rel' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a int_rel_init.o rel_input.o modelpotential_input.o set_modelpotential_params.o get_modelpotential_params.o calc_modelpotential.o rel_onel.o rel_mpole.o rel_pvp.o rel_pot.o rel_pot2.o rel_2e4c_sf.o rel_LLSS.o rel_SSLL.o rel_SSSS.o rel_init_con.o dmd_input.o zora_input.o x2c_input.o rel_oneld.o rel_oneld_cosmo.o rel_2e4cd_sf.o rel_LLSSd.o rel_SSLLd.o rel_SSSSd.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/rel' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/rel' Making all in dk make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/dk' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/dk' Compiling int_1edk_ga.F... int_1edk_ga.F:194:13: 194 | info = ga_cholesky('L',tempg_a,-1) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling dk_input.F... dk_input.F:110:61: 108 | if (.not. rtdb_put(rtdb, 'doug_kroll', mt_log, 1, dk_run)) | 2 109 | $ call errquit('dk_input: rtdb_put failed', 0, RTDB_ERR) 110 | if (.not. rtdb_put(rtdb, 'doug_kroll:type', mt_int, 1, dk_type)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dkdiv_energy.F... Compiling int_pxvp_ga.F... Compiling int_1edkso_ga.F... int_1edkso_ga.F:182:13: 182 | info = ga_cholesky('L',tempg_a,-1) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling bas_create_uncont.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/dk' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/dk' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a int_1edk_ga.o dk_input.o dkdiv_energy.o int_pxvp_ga.o int_1edkso_ga.o bas_create_uncont.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/dk' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/dk' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a intgrl_input.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwints.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints' Making libraries in atomscf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/atomscf' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/atomscf' Compiling orderd.F... Compiling atcond.F... Compiling denat.F... denat.F:132:56: 121 | if (.not. rtdb_get(rtdb, 'atomscf:special', mt_log, 1, spec)) | 2 ...... 132 | if (.not.rtdb_get(rtdb,'atomscf:z',mt_dbl,num_z,z)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling hamild.F... Compiling outpud.F... Compiling teigd.F... Compiling atomd.F... Compiling denmad.F... Compiling jacod.F... jacod.F:141:72: 141 | f(iebr) = tt*sx - f(iebr)*cx | ^ Warning: 'tt' may be used uninitialized [-Wmaybe-uninitialized] jacod.F:20:49: 20 | real *8 sd, t, dif, t2x2, t2x25, cx, sx, tt | ^ note: 'tt' was declared here Compiling pdfded.F... Compiling tracd.F... Compiling cmergd.F... Compiling densid.F... Compiling densid_z.F... Compiling oeigd.F... Compiling shalfd.F... Compiling trafsd.F... Compiling creded.F... Compiling square.F... Compiling tramad.F... Compiling datoms.F... Compiling guess_mem.F... Compiling starcd.F... Compiling writel.F... Compiling printbasis.F... Compiling atscf_ecp.F... Compiling atscf_atscf.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/atomscf' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/atomscf' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libguess.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libguess.a orderd.o atcond.o denat.o hamild.o outpud.o teigd.o atomd.o denmad.o jacod.o pdfded.o tracd.o cmergd.o densid.o densid_z.o oeigd.o shalfd.o trafsd.o creded.o square.o tramad.o datoms.o guess_mem.o starcd.o writel.o printbasis.o atscf_ecp.o atscf_atscf.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libguess.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libguess.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libguess.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/atomscf' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/atomscf' Making libraries in ddscf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ddscf' Compiling comp4_bins.F... Compiling rhf_dens_mo.F... Compiling comp4_insert.F... Compiling scf_sym_adap.F... Compiling rhf_fock_2e.F... Compiling scf_lindep.F... scf_lindep.F:69:51: 59 | if (rtdb_get(rtdb, 'lindep:n_dep', mt_int, 1, n_dep)) then | 2 ...... 69 | if (rtdb_get(rtdb, 'lindep:tol', mt_dbl, 1, tol)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ga_atom_blk.F... Compiling scf.F... scf.F:193:9: 191 | & cam_exch)) cam_exch=.false. | 2 192 | if (.not.rtdb_get(rtdb, 'scf:cam_omega', mt_dbl, 1, 193 | & cam_omega)) cam_omega=0.d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). scf.F:307:56: 76 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 1)) | 2 ...... 307 | if (.not. rtdb_put(rtdb, 'scf:energy', MT_DBL, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling scf_input.F... scf_input.F:52:60: 43 | if (.not. rtdb_put(rtdb, 'scf:thresh', mt_dbl, 1, conv)) | 2 ...... 52 | if (.not. rtdb_put(rtdb, 'scf:maxiter', mt_int, 1, maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). scf_input.F:79:64: 43 | if (.not. rtdb_put(rtdb, 'scf:thresh', mt_dbl, 1, conv)) | 2 ...... 79 | if (.not.rtdb_put(rtdb,'scf:level shift info',MT_DBL,6,shifts)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling schwarz_init.F... Compiling vectors_inp.F... vectors_inp.F:234:51: 126 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 234 | if (.not. rtdb_put(rtdb, test, mt_int, 1, nfrag)) call errquit | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) vectors_inp.F:248:51: 126 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 248 | if (.not. rtdb_put(rtdb, test, MT_LOG, 1, olock)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling int_1e_ga.F... int_1e_ga.F:706:72: 706 | ocache=ocache_save | ^ Warning: 'ocache_save' may be used uninitialized [-Wmaybe-uninitialized] int_1e_ga.F:625:25: 625 | logical ocache_save | ^ note: 'ocache_save' was declared here int_1e_ga.F:423:72: 423 | ocache=ocache_save | ^ Warning: 'ocache_save' may be used uninitialized [-Wmaybe-uninitialized] int_1e_ga.F:208:25: 208 | logical ocache_save | ^ note: 'ocache_save' was declared here Compiling schwarz_pr.F... Compiling ga_orth_mos.F... Compiling schwarz_tidy.F... Compiling int2e_balance.F... Compiling vectors.F... Compiling scf_sym_scr.F... Compiling ga_cont_blk.F... vectors.F:1308:40: 1302 | ierr = eaf_read(unitno, offset, len1,lgth) | 2 ...... 1308 | ierr = eaf_read(unitno, offset, gtitle(1:len1),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(*)/INTEGER(8)). vectors.F:1162:41: 1156 | ierr = eaf_write(unitno, offset, len1,lgth) | 2 ...... 1162 | ierr = eaf_write(unitno, offset, gtitle(1:len1),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(*)/INTEGER(8)). vectors.F:195:43: 195 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, ddblsize*nbf, 0) | 1 ...... 1358 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) ! Propagate status | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). vectors.F:77:41: 77 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nmo, inntsize*nsets, 0) | 1 ...... 1358 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) ! Propagate status | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vectors.F:851:22: 575 | call ga_inquire(g_vecs, type, dim1, dim2) | 2 ...... 851 | call ga_inquire(g_a, type, nrow, ncol) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) vectors.F:868:22: 575 | call ga_inquire(g_vecs, type, dim1, dim2) | 2 ...... 868 | call ga_inquire(g_a, type, nrow, ncol) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) vectors.F:952:50: 402 | if (.not. rtdb_get(rtdb, key, mt_dbl, 1, energy)) then | 2 ...... 952 | if (.not. rtdb_get(rtdb, key, mt_log, 1, oconverged)) goto 10 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling mull_pop.F... mull_pop.F:162:44: 152 | call ga_put(g_nbf,iat,iat,1,1,nbf_at,1) | 2 ...... 162 | call ga_put(g_pop,mu,mu,iat,iat,psmu,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). mull_pop.F:177:40: 175 | call ga_get (g_nbf,iat,iat,1,1,nbf_at,1) | 2 176 | do i = 1,nbf_at 177 | call ga_get(g_pop,i,i,iat,iat,pop,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling matrix_exp.F... Compiling scf_pstat.F... vectors.F:997:72: 997 | end | ^ Warning: '__result_movecs_converged' may be used uninitialized [-Wmaybe-uninitialized] vectors.F:873:39: 873 | logical function movecs_converged(rtdb, basis, scftype, filename) | ^ note: '__result_movecs_converged' was declared here Compiling schwarz_max.F... Compiling movecs_proj.F... movecs_proj.F:181:32: 172 | call int_init(rtdb,2,basis_handles) | 2 ...... 181 | call int_init(rtdb, 1, basis) ! WRONG WRONG WRONG | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling movecs_rotate.F... Compiling movecs_molden.F... Compiling ao_fock_2e.F... Compiling movecs_lock.F... movecs_lock.F:77:26: 62 | call ycopy(nmo, evals, 1, dbl_mb(k_e), 1) | 2 ...... 77 | call ycopy(nmo, 0.0d0,0, dbl_mb(k_t), 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling fock_2e.F... fock_2e.F:111:49: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 111 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:111:55: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 111 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:127:51: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 127 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:127:57: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 127 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:131:50: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 131 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:131:56: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 131 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling fock_2e_et.F... Compiling fock_2e_a.F... Compiling print_aoints.F... Compiling fock_2e_b.F... Compiling fock_upd_blk.F... Compiling fock_2e_cdf.F... Compiling fock_get_blk.F... Compiling scf_vec_guess.F... scf_vec_guess.F:113:53: 92 | if(.not.rtdb_get(rtdb,'tolguess',mt_dbl,1,tolguess)) then | 2 ...... 113 | if (.not. rtdb_get(rtdb, 'dft:fon', mt_log, 1, fon)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). scf_vec_guess.F:134:25: 124 | & 32, 32, g_tmp)) call errquit('scf_v_g: tmp MOs', 0, | 2 ...... 134 | & 32, 32, g_movecs)) call errquit('scf_v_g: alpha MOs',0, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:141:24: 124 | & 32, 32, g_tmp)) call errquit('scf_v_g: tmp MOs', 0, | 2 ...... 141 | & 32,32, g_movecs)) call errquit('scf_v_g: MOs', 0, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:145:30: 128 | if (.not. ga_destroy(g_movecs)) | 2 ...... 145 | if (.not. ga_destroy(g_tmp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:164:14: 159 | if (.not. rtdb_put(rtdb,'scf:tol2e',mt_dbl,1,tol2e)) | 2 ...... 164 | $ odensityscreen)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). scf_vec_guess.F:295:31: 144 | call ga_copy(g_tmp, g_movecs) | 2 ...... 295 | call ga_copy(g_movecs, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:295:41: 144 | call ga_copy(g_tmp, g_movecs) | 2 ...... 295 | call ga_copy(g_movecs, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:332:30: 330 | & g_tmp, g_movecs, 0.0d0, g_tmp2) | 2 331 | call ga_dgemm('n', 'n', nbf, nmo, nmo, 1.0d0, 332 | & g_tmp, g_tmp2, 0.0d0, g_movecs) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:332:45: 330 | & g_tmp, g_movecs, 0.0d0, g_tmp2) | 2 331 | call ga_dgemm('n', 'n', nbf, nmo, nmo, 1.0d0, 332 | & g_tmp, g_tmp2, 0.0d0, g_movecs) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:337:33: 330 | & g_tmp, g_movecs, 0.0d0, g_tmp2) | 2 ...... 337 | & g_tmp, g_tmp2, 0.0d0, g_movecs(2)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:339:39: 128 | if (.not. ga_destroy(g_movecs)) | 2 ...... 339 | if (.not. ga_destroy(g_tmp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:341:39: 128 | if (.not. ga_destroy(g_movecs)) | 2 ...... 341 | if (.not. ga_destroy(g_tmp2)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf.F... rohf.F:135:14: 135 | $ int_mb(k_irs), nmo) | 1 ...... 311 | call ecce_print1('total dipole', mt_dbl, totalmoments(2), 3) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling rohf_nr_sol.F... Compiling rohf_wrap.F... rohf_wrap.F:209:58: 191 | if (.not. rtdb_get(rtdb,'cosmo:energy',mt_dbl,1,ecosmo)) | 2 ...... 209 | if (.not. rtdb_get(rtdb, 'dimqm:ldimqm', MT_LOG, 1, ldimqm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling rohf_canon.F... rohf_canon.F:90:17: 79 | $ zero, g_movecs) | 2 ...... 90 | $ zero, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:92:17: 79 | $ zero, g_movecs) | 2 ...... 92 | $ zero, crohf_g_fcv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:96:20: 79 | $ zero, g_movecs) | 2 ...... 96 | $ zero, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:98:20: 79 | $ zero, g_movecs) | 2 ...... 98 | $ zero, crohf_g_fcp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:100:20: 79 | $ zero, g_movecs) | 2 ...... 100 | $ zero, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:102:20: 79 | $ zero, g_movecs) | 2 ...... 102 | $ zero, crohf_g_fpv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf_k2cf.F... Compiling rohf_precon.F... Compiling rohf_shift.F... Compiling rohf_step.F... Compiling rohf_rotate.F... Compiling scf_get_info.F... scf_get_info.F:363:58: 363 | if (.not. rtdb_get(rtdb, 'fock:task_bf', MT_INT, 1, task_bf)) | 1 ...... 550 | $ MT_LOG, 1, okeep)) okeep = .false. | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling rohf_hscale.F... Compiling fock_2e_file.F... Compiling rohf_hxx.F... Compiling rohf_fock.F... rohf_fock.F:255:25: 121 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 255 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_fock.F:255:46: 121 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 255 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_fock.F:269:25: 121 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 269 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_fock.F:269:46: 121 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 269 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rohf_fock2g.F... Compiling scf_movecs.F... scf_movecs.F:94:40: 16 | $ g_movecs)) | 2 ...... 94 | $ dbl_mb(k_o), dbl_mb(k_e), g_old)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf_h1e.F... Compiling rohf_h2e.F... Compiling rohf_hessv2.F... rohf_hessv2.F:293:14: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 293 | $ g_movec, 1, nbf, voff, nmo, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:294:14: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 294 | $ g_tmp2, 1, nvir, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:314:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 314 | $ g_movec, 1, nbf, voff, nmo, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:315:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 315 | $ g_tmp2, 1, nvir, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:332:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 332 | $ g_movec, 1, nbf, ooff, oend, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:333:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 333 | $ g_tmp2, 1, nopen, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:487:14: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 487 | $ g_movec, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:488:14: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 488 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:514:33: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 514 | $ g_movec, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:515:33: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 515 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:532:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 532 | $ g_movec, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:533:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 533 | $ g_tmp1, 1, nbf, 1, nopen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:551:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 551 | $ g_movec, ooff, oend, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:552:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 552 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf_dens.F... Compiling movecs_phase.F... Compiling riscf_fock.F... Compiling riscf_init.F... Compiling riscf_list.F... riscf_list.F:101:40: 101 | logical function riscf_del_3c_ints (handle) | ^ Warning: '__result_riscf_del_3c_ints' may be used uninitialized [-Wmaybe-uninitialized] Compiling riscf_tidy.F... Compiling riscf_trans.F... riscf_trans.F:96:61: 64 | call ga_get (g_indx, i, i, j, j, indx, 1) | 2 ...... 96 | call ga_get (g_Vsqrt, 1, Nff, sfirst, slast, V_row, Nff) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling do_riscf.F... Compiling riscf_dovecs.F... Compiling rohf_scat.F... rohf_scat.F:124:35: 109 | if (.not.int_normalize(rtdb,basis)) | 2 ...... 124 | if (.not. int_normalize(rtdb,all_bas_han)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). rohf_scat.F:148:26: 119 | if (.not. bas_numbf(all_bas_han, nbf_all)) | 2 ...... 148 | if (.not. bas_numbf(basis, nbf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). rohf_scat.F:235:33: 232 | if (.not. bas_ce2bfr(basis, iat, ilo, ihi)) | 2 ...... 235 | if (.not. bas_ce2bfr(all_bas_han, iat, jlo, jhi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). rohf_scat.F:264:25: 146 | call ga_orthog_mos(basis, g_vecs) | 2 ...... 264 | call ga_orthog_mos(all_bas_han, g_all) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). rohf_scat.F:279:40: 133 | g_vecs = ga_create_atom_blocked(geom,basis,'Molecular orbital') | 2 ...... 279 | & ga_create_atom_blocked(geom, all_bas_han, 'rohf: cdens') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling uhf.F... Compiling uhf_hessv.F... uhf.F:2010:31: 429 | call movecs_fix_phase(g_movecs) | 2 ...... 2010 | call movecs_fix_phase(g_u) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1696:11: 361 | if (.not.rtdb_get(rtdb, 'scf:noscf', mt_log, 1, noscf)) | 2 ...... 1696 | $ max_precond_sub)) max_precond_sub = 10 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). uhf.F:813:23: 397 | call ga_print(g_movecs) | 2 ...... 813 | call ga_print(g_a_dens) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:814:23: 397 | call ga_print(g_movecs) | 2 ...... 814 | call ga_print(g_b_dens) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1005:23: 397 | call ga_print(g_movecs) | 2 ...... 1005 | call ga_print(g_a_coul) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1006:23: 397 | call ga_print(g_movecs) | 2 ...... 1006 | call ga_print(g_a_exch) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1217:23: 397 | call ga_print(g_movecs) | 2 ...... 1217 | call ga_print(g_a_coul) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1218:23: 397 | call ga_print(g_movecs) | 2 ...... 1218 | call ga_print(g_b_coul) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1229:23: 397 | call ga_print(g_movecs) | 2 ...... 1229 | call ga_print(cuhf_g_falpha) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1230:23: 397 | call ga_print(g_movecs) | 2 ...... 1230 | call ga_print(cuhf_g_fbeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1591:32: 397 | call ga_print(g_movecs) | 2 ...... 1591 | if (odebug) call ga_print(g_grad) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling fock_2e_rep.F... Compiling uhf_hessv2.F... Compiling print_integ_list.F... Compiling print_1eints.F... Compiling riscf_square.F... riscf_square.F:75:57: 50 | call ga_get (g_indx, 1, ish, ish, ish, indx, ish) | 2 ...... 75 | call ga_get (g_three, first, last, in, in, three, nint) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling riscf_io.F... Compiling movecs_pr_anal.F... Compiling rohf_lagr.F... Compiling rohf_diis.F... rohf_diis.F:164:23: 164 | $ g_movecs, 0.d0, g_tmp ) | 1 ...... 414 | $ g_tmp2, 0.d0, g_tmp1 ) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_diis.F:167:54: 167 | call ga_dgemm( 'n', 'n', nbf, nbf, nbf, 1.d0, g_movecs, | 1 ...... 413 | call ga_dgemm( 'n', 'n', nbf, nbf, nbf, 1.d0, g_fock, | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_diis.F:174:34: 174 | call rohf_errvec( g_fock, g_movecs, g_over, g_xorth, | 1 Warning: Rank mismatch in argument 'g_vecs' at (1) (scalar and rank-1) Compiling rhf_fock.F... Compiling multipole.F... Compiling ga_mat_to_vec.F... Compiling movecs_frag.F... movecs_frag.F:84:63: 56 | $ call errquit('movecs_fragment: no fragment info?',0, | 2 ...... 84 | $ call errquit('movecs_fragment: GA for frag MOs', nmo_frag, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling localize.F... Compiling int_dip_ga.F... localize.F:78:24: 78 | call ga_get(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 519 | call ga_get(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:80:24: 80 | call ga_put(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 615 | call ga_put(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:85:24: 85 | call ga_get(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 519 | call ga_get(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:87:24: 87 | call ga_put(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 615 | call ga_put(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:126:39: 126 | $ nloc, iloc, nbf, nmo, g_movecs, g_sc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:136:36: 136 | $ nloc, iloc, nbf, nmo, g_movecs, g_sc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:145:36: 145 | $ nloc, iloc, nbf, nmo, g_movecs, g_sc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:195:39: 195 | $ nloc, iloc, nbf, nmo, g_movecs, g_uc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:205:36: 205 | $ nloc, iloc, nbf, nmo, g_movecs, g_uc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:214:36: 214 | $ nloc, iloc, nbf, nmo, g_movecs, g_uc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:760:20: 17 | $ 1.0d0, g_over, g_movecs, 0.0d0, g_sc) | 2 ...... 760 | & 1.0d0, g_c, g_c, 0.0d0, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) localize.F:905:20: 17 | $ 1.0d0, g_over, g_movecs, 0.0d0, g_sc) | 2 ...... 905 | & 1.0d0, g_c, g_c, 0.0d0, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling fock_xc.F... fock_xc.F:117:54: 103 | & calc_type)) then | 2 ...... 117 | if (.not.rtdb_get(rtdb, 'dft:cgmin', mt_log, 1, lcgmin)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). fock_xc.F:194:28: 194 | = dft_npatch(g_dens,i,nbf_ao,geom,ao_bas_han) | 1 Warning: Rank mismatch in argument 'g_dens' at (1) (scalar and rank-1) fock_xc.F:205:44: 205 | int_mb(igxcd+i-1)=dft_npatch(g_dens,i+nfock_xc-1, | 1 Warning: Rank mismatch in argument 'g_dens' at (1) (scalar and rank-1) fock_xc.F:359:33: 359 | call nga_copy_patch('N',g_xc,alo,ahi, | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_xc.F:360:12: 360 | & g_xc,blo,bhi) | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_xc.F:366:33: 366 | call nga_copy_patch('N',g_xc,alo,ahi, | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_xc.F:367:12: 367 | & g_xc,blo,bhi) | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling fock_j_fit.F... fock_j_fit.F:17:45: 17 | call fock_j_fit_gen(nmat, g_dens, g_j, 0d0, .false., .true.) | 1 Warning: Rank mismatch in argument 'tvec' at (1) (rank-1 and scalar) Compiling rohf_jkfac.F... Compiling uhf_jkfac.F... Compiling rohf_hessv3.F... rohf_hessv3.F:862:54: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 862 | call nga_copy_patch('N',g_fock(ipm),alo,ahi,g_tmp1,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:863:54: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 863 | call nga_copy_patch('N',g_dens(ipm),alo,ahi,g_dcv,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:882:15: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 882 | & g_tmp2,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:883:56: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 883 | call nga_copy_patch('N',g_dens(ipm),alo,ahi,g_dcp,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:888:15: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 888 | & g_tmp3,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:890:15: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 890 | & g_dpv,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:69:17: 69 | $ pflg, g_movecs, oskel, noskew, | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) Compiling fock_2e_cam.F... fock_2e_cam.F:118:49: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 118 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:118:55: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 118 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:134:51: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 134 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:134:57: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 134 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:140:50: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 140 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:140:56: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 140 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ga_get2eri.F... Compiling scf_frozemb.F... Compiling print_integrals.F... Compiling rohf_hessv2_ext.F... rohf_hessv2_ext.F:102:72: 102 | chunk(1) = dims(1) | ^ Warning: 'dims' is used uninitialized [-Wuninitialized] rohf_hessv2_ext.F:53:21: 53 | integer dims(3),chunk(3), | ^ note: 'dims' declared here Compiling rohf_hessv3_ext.F... Compiling uhf_hessv2_ext.F... rohf_hessv3_ext.F:88:11: 88 | & g_movecs, | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) rohf_hessv3_ext.F:429:11: 429 | & g_movecs, ! in : MO coefficients | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) Compiling uhf_precond_ext.F... Compiling scf_dump_evp_input.F... scf_dump_evp_input.F:74:72: 74 | & action="write",status="replace") | ^ Warning: 'funit' may be used uninitialized [-Wmaybe-uninitialized] scf_dump_evp_input.F:18:22: 18 | integer :: funit | ^ note: 'funit' declared here uhf_hessv2_ext.F:4115:72: 4115 | & GA_ERR) | 1 Warning: Missing actual argument for argument '_formal_8' at (1) uhf_hessv2_ext.F:2779:72: 2779 | & GA_ERR) | 1 Warning: Missing actual argument for argument '_formal_8' at (1) Compiling cosmo_fock.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ddscf' Making all in fast make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ddscf/fast' uhf_hessv2_ext.F:3799:72: 3799 | chunk(1) = dims(1) | ^ Warning: 'dims' is used uninitialized [-Wuninitialized] uhf_hessv2_ext.F:3758:21: 3758 | & dims(3),chunk(3) | ^ note: 'dims' declared here uhf_hessv2_ext.F:2458:72: 2458 | chunk(1) = dims(1) | ^ Warning: 'dims' is used uninitialized [-Wuninitialized] uhf_hessv2_ext.F:2418:21: 2418 | & dims(3),chunk(3) | ^ note: 'dims' declared here uhf_hessv2_ext.F:343:72: 343 | chunk(1) = dims(1) | ^ Warning: 'dims' is used uninitialized [-Wuninitialized] uhf_hessv2_ext.F:303:21: 303 | & dims(3),chunk(3) | ^ note: 'dims' declared here Compiling fock_2e_task.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ddscf/fast' Compiling fock_2e_slab.F... Compiling fock_2e_lab.F... fock_2e_lab.F:1609:46: 1609 | call fock_2e_rep_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'jfac' at (1) (scalar and rank-1) fock_2e_lab.F:1609:52: 1609 | call fock_2e_rep_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'kfac' at (1) (scalar and rank-1) fock_2e_lab.F:2039:50: 2039 | call fock_2e_rep_mod_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'jfac' at (1) (scalar and rank-1) fock_2e_lab.F:2039:56: 2039 | call fock_2e_rep_mod_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'kfac' at (1) (scalar and rank-1) Compiling fock_labscal.F... Compiling fock_2e_c.F... Compiling fock_scale.F... Compiling xlm_poles.F... Compiling fock_densc.F... Compiling cheby.F... Compiling schwarz_atom.F... Compiling fastj.F... Compiling comp4_ext.F... fastj.F:170:11: 158 | if (.not. rtdb_get(rtdb, 'fastj:depth', mt_int, 1, depth)) | 2 ...... 170 | $ oversample)) oversample = 1.8d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). fastj.F:1994:36: 650 | $ radial*double_factorial(n+l+1)/ | 2 ...... 1994 | $ 2d0*log(double_factorial(n))+ | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling anlfit.F... Compiling schwarz_sh.F... anlfit.F:615:72: 615 | D(1)=PTWO | ^ Warning: 'ptwo' may be used uninitialized [-Wmaybe-uninitialized] anlfit.F:598:42: 598 | DOUBLE PRECISION C(*),D(*),PONE,PTWO,X(*),XX,WORK(*) | ^ note: 'ptwo' was declared here fastj.F:1639:72: 1639 | dbl_mb(k_v_r+j-1) = dbl_mb(k_v_r+j-1) - potgrid | ^ Warning: 'potgrid' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:1256:47: 1256 | double precision x, y, z, potfmm, potgrid, fact | ^ note: 'potgrid' was declared here Compiling cart_trans.F... Compiling int2e_file.F... Compiling gauleg.f... Compiling ao_replicated.F... fastj.F:541:41: 541 | if (nx.gt.maxn .or. ny.gt.maxn .or. nz.gt.maxn) call errquit | ^ Warning: 'nx' is used uninitialized [-Wuninitialized] fastj.F:503:19: 503 | integer k, nx, ny, nz, nnx, nny, nnz, jk, jjkk, ijk, ind, ptr | ^ note: 'nx' declared here fastj.F:541:41: 541 | if (nx.gt.maxn .or. ny.gt.maxn .or. nz.gt.maxn) call errquit | ^ Warning: 'ny' is used uninitialized [-Wuninitialized] fastj.F:503:23: 503 | integer k, nx, ny, nz, nnx, nny, nnz, jk, jjkk, ijk, ind, ptr | ^ note: 'ny' declared here fastj.F:541:41: 541 | if (nx.gt.maxn .or. ny.gt.maxn .or. nz.gt.maxn) call errquit | ^ Warning: 'nz' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:503:27: 503 | integer k, nx, ny, nz, nnx, nny, nnz, jk, jjkk, ijk, ind, ptr | ^ note: 'nz' declared here fastj.F:736:72: 736 | $ x-a, y-b, z-c, q, lmax) | ^ Warning: 'x' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:507:36: 507 | double precision hfmm, dist, x, y, z, totalq, rootpi, radial, | ^ note: 'x' was declared here fastj.F:736:72: 736 | $ x-a, y-b, z-c, q, lmax) | ^ Warning: 'y' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:507:39: 507 | double precision hfmm, dist, x, y, z, totalq, rootpi, radial, | ^ note: 'y' was declared here fastj.F:736:72: 736 | $ x-a, y-b, z-c, q, lmax) | ^ Warning: 'z' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:507:42: 507 | double precision hfmm, dist, x, y, z, totalq, rootpi, radial, | ^ note: 'z' was declared here Compiling solver.F... solver.F:1030:15: 1029 | do j = 0,lmax | 2 1030 | yp(j,i) = yy | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1031:15: 1029 | do j = 0,lmax | 2 1030 | yp(j,i) = yy 1031 | zp(j,i) = zz | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1055:34: 1054 | do j = 0, lmax | 2 1055 | yf(j) = yf(j) + yp(j,l)*f(l,m) | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1060:46: 1058 | do k = 0,lmax | 2 1059 | do j = 0,lmax 1060 | q2d(j,k) = q2d(j,k) + yf(j)*zp(k,m) | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) ao_replicated.F:988:72: 988 | do i = ilo, ihi | ^ Warning: 'ilo' may be used uninitialized [-Wmaybe-uninitialized] ao_replicated.F:916:17: 916 | integer ilo, ihi, inprim, ingen, itype | ^ note: 'ilo' declared here ao_replicated.F:988:72: 988 | do i = ilo, ihi | ^ Warning: 'ihi' may be used uninitialized [-Wmaybe-uninitialized] ao_replicated.F:916:22: 916 | integer ilo, ihi, inprim, ingen, itype | ^ note: 'ihi' declared here Compiling vsint.F... vsint.F:999:72: 999 | n4=n5 | ^ Warning: 'n5' is used uninitialized [-Wuninitialized] vsint.F:999:11: 999 | n4=n5 | ^ note: 'n5' was declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ddscf' Compiling pot_shell.F... Compiling fastj_direct.F... solver.F:99:72: 99 | $ write(6,15) etime(tt) - start | ^ Warning: 'start' may be used uninitialized [-Wmaybe-uninitialized] solver.F:34:32: 34 | real*4 etime, tt(2), start | ^ note: 'start' was declared here pot_shell.F:88:52: 88 | double precision qm2, qm1, q0, qp1, qp2, start | ^ Warning: 'start' may be used uninitialized [-Wmaybe-uninitialized] Compiling fastj_range.f... Compiling newfmm.F... newfmm.F:1152:26: 999 | call ifill(ncells,.false.,log_mb(k_probe),1) | 2 ...... 1152 | call ifill(n_cells, -1, int_mb(k_tree), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). newfmm.F:1152:30: 999 | call ifill(ncells,.false.,log_mb(k_probe),1) | 2 ...... 1152 | call ifill(n_cells, -1, int_mb(k_tree), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling potential.F... Compiling sint.F... sint.F:146:72: 146 | CALL RFFTI1(N,WSAVE(N+1),WSAVE(2*N+1)) | 1 Warning: Type mismatch in argument 'ifac' at (1); passed REAL(8) to INTEGER(8) sint.F:25:72: 25 | CALL SINT1(N,X,WSAVE,WSAVE(IW1),WSAVE(IW2),WSAVE(IW3)) | 1 Warning: Type mismatch in argument 'ifac' at (1); passed REAL(8) to INTEGER(8) newfmm.F:580:72: 580 | call xlm(lmax, x-xo, y-yo, z-zo, w, lq) | ^ Warning: 'xo' may be used uninitialized [-Wmaybe-uninitialized] newfmm.F:530:37: 530 | double precision hx, hy, hz, xo, yo, zo, sum, | ^ note: 'xo' was declared here newfmm.F:580:72: 580 | call xlm(lmax, x-xo, y-yo, z-zo, w, lq) | ^ Warning: 'yo' may be used uninitialized [-Wmaybe-uninitialized] newfmm.F:530:41: 530 | double precision hx, hy, hz, xo, yo, zo, sum, | ^ note: 'yo' was declared here newfmm.F:580:72: 580 | call xlm(lmax, x-xo, y-yo, z-zo, w, lq) | ^ Warning: 'zo' may be used uninitialized [-Wmaybe-uninitialized] newfmm.F:530:45: 530 | double precision hx, hy, hz, xo, yo, zo, sum, | ^ note: 'zo' was declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ddscf/fast' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ddscf/fast' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libddscf.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libddscf.a xlm_poles.o cheby.o fastj.o anlfit.o cart_trans.o gauleg.o solver.o vsint.o pot_shell.o fastj_direct.o fastj_range.o newfmm.o potential.o sint.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libddscf.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libddscf.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libddscf.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ddscf/fast' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ddscf/fast' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ddscf' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libddscf.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libddscf.a comp4_bins.o rhf_dens_mo.o comp4_insert.o scf_sym_adap.o rhf_fock_2e.o scf_lindep.o ga_atom_blk.o scf.o scf_input.o schwarz_init.o vectors_inp.o int_1e_ga.o schwarz_pr.o ga_orth_mos.o schwarz_tidy.o int2e_balance.o vectors.o scf_sym_scr.o ga_cont_blk.o mull_pop.o matrix_exp.o scf_pstat.o schwarz_max.o movecs_proj.o movecs_rotate.o movecs_molden.o ao_fock_2e.o movecs_lock.o fock_2e.o fock_2e_et.o fock_2e_a.o print_aoints.o fock_2e_b.o fock_upd_blk.o fock_2e_cdf.o fock_get_blk.o scf_vec_guess.o rohf.o rohf_nr_sol.o rohf_wrap.o rohf_canon.o rohf_k2cf.o rohf_precon.o rohf_shift.o rohf_step.o rohf_rotate.o scf_get_info.o rohf_hscale.o fock_2e_file.o rohf_hxx.o rohf_fock.o rohf_fock2g.o scf_movecs.o rohf_h1e.o rohf_h2e.o rohf_hessv2.o rohf_dens.o movecs_phase.o riscf_fock.o riscf_init.o riscf_list.o riscf_tidy.o riscf_trans.o do_riscf.o riscf_dovecs.o rohf_scat.o uhf.o uhf_hessv.o fock_2e_rep.o uhf_hessv2.o print_integ_list.o print_1eints.o riscf_square.o riscf_io.o movecs_pr_anal.o rohf_lagr.o rohf_diis.o rhf_fock.o multipole.o ga_mat_to_vec.o movecs_frag.o localize.o int_dip_ga.o fock_xc.o fock_j_fit.o rohf_jkfac.o uhf_jkfac.o rohf_hessv3.o fock_2e_cam.o ga_get2eri.o scf_frozemb.o print_integrals.o rohf_hessv2_ext.o rohf_hessv3_ext.o uhf_hessv2_ext.o uhf_precond_ext.o scf_dump_evp_input.o cosmo_fock.o fock_2e_task.o fock_2e_slab.o fock_2e_lab.o fock_labscal.o fock_2e_c.o fock_scale.o fock_densc.o schwarz_atom.o comp4_ext.o schwarz_sh.o int2e_file.o ao_replicated.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libddscf.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libddscf.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ddscf' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ddscf' Making libraries in gradients make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/gradients' Compiling gradients.F... Compiling grad_force.F... grad_force.F:252:63: 226 | if (.not. rtdb_get(rtdb,'slv:cosmo',mt_log,1,ocosmo)) then | 2 ...... 252 | if (.not. rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, xfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling grad1.F... Compiling scf_gradient.F... Compiling grad_dens.F... Compiling grad_inp.F... grad_inp.F:45:62: 40 | $ checkpoint)) | 2 ...... 45 | 200 if (.not. rtdb_put(rtdb,'gradients:restart', MT_LOG, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling ga_reorder.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/gradients' Compiling grad2.F... Compiling grad_getdens.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/gradients' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/gradients' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libgradients.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libgradients.a gradients.o grad_force.o grad1.o scf_gradient.o grad_dens.o grad_inp.o ga_reorder.o grad2.o grad_getdens.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libgradients.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libgradients.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libgradients.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/gradients' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/gradients' Making libraries in moints make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/moints' Compiling atwtest.F... Compiling direct_mp2.F... direct_mp2.F:118:58: 59 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 118 | if (.not. rtdb_get(rtdb, 'dft:energy', MT_DBL, 1, scf_energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mointdriver.F... mointdriver.F:96:28: 90 | if (.not. rtdb_get(rtdb, 'mp2:aotol2e', mt_dbl, 1, tol2e)) | 2 ...... 96 | $ 1, odisk)) odisk = .false. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling moints_1e.F... Compiling moints_dbg.F... Compiling moints_gsh1.F... Compiling moints_mem.F... Compiling moints_mp2.F... moints_mp2.F:167:54: 163 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 2 ...... 167 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling moints_stats.F... moints_stats.F:54:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 54 | call ga_dgop(msg_moints_stats_2,mi_maxsynch,1,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_stats.F:55:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 55 | call ga_dgop(msg_moints_stats_3,mi_minsynch,1,'min') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_stats.F:56:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 56 | call ga_dgop(msg_moints_stats_4,mi_maxtask,1,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_stats.F:57:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 57 | call ga_dgop(msg_moints_stats_5,mi_mintask,1,'min') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling moints_full.F... moints_full.F:886:42: 626 | call ga_get(g_coul, 1, nact2, ij, ij, g, 1) | 2 ...... 886 | call ga_get(g_tmp, 1, nbf, i, i, work, nbf) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_full.F:887:52: 710 | call ga_put(g_mofock, 1, hi, i, i, buf, 1) | 2 ...... 887 | call ga_put(g_vecs,1, nbf, map(i), map(i), work, nbf) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_full.F:192:11: 103 | if (.not. rtdb_get(rtdb,'selci:cckohn_ci',mt_log,1,cckohn_ci)) | 2 ...... 192 | $ occ_frozen)) occ_frozen = 0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). moints_full.F:374:72: 374 | $ nsym, sym_lo, sym_hi) | 1 Warning: Type mismatch in argument 'work' at (1); passed REAL(8) to INTEGER(8) Compiling sifs0.F... sifs0.F:236:72: 236 | nbig = ( ( nbig + 2*chunk ) / chunk ) * chunk | ^ Warning: 'chunk' may be used uninitialized [-Wmaybe-uninitialized] sifs0.F:138:25: 138 | integer nbig, chunk, nword, ibvfac, space | ^ note: 'chunk' was declared here sifs0.F:236:72: 236 | nbig = ( ( nbig + 2*chunk ) / chunk ) * chunk | ^ Warning: 'nbig' may be used uninitialized [-Wmaybe-uninitialized] sifs0.F:138:18: 138 | integer nbig, chunk, nword, ibvfac, space | ^ note: 'nbig' was declared here Compiling sifs1.F... sifs1.F:1371:13: 911 | & fcore, ibitv, ierr ) | 2 ...... 1371 | & wdummy, idummy, ierr ) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/moints' sifs1.F:2034:72: 2034 | do 250 i = (i1+skipd), i2 | ^ Warning: 'skipd' may be used uninitialized [-Wmaybe-uninitialized] sifs1.F:1914:36: 1914 | & jsym, j1, numtx, skipd, j2 | ^ note: 'skipd' was declared here Compiling moints_cutil.c... Compiling moints_aodisk.F... moints_aodisk.F:1719:22: 1719 | if (.not.(sprs_verify(llen,klen,itmp(1), | 1 Warning: Type mismatch in argument 'ir' at (1); passed INTEGER(8) to INTEGER(2) moints_aodisk.F:922:23: 922 | call icopy( 1, recptr, 1, iorec(1), 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_aodisk.F:922:34: 922 | call icopy( 1, recptr, 1, iorec(1), 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). moints_aodisk.F:996:72: 996 | $ iorec(irrp), iorec(drp), nnz1 ) | 1 Warning: Type mismatch in argument 'colp' at (1); passed REAL(8) to INTEGER(8) moints_aodisk.F:996:72: 996 | $ iorec(irrp), iorec(drp), nnz1 ) | 1 Warning: Type mismatch in argument 'ir' at (1); passed REAL(8) to INTEGER(2) moints_aodisk.F:1165:38: 1165 | call icopy( 1, iorec(1), 1, nexthdrp, 1 ) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1172:41: 1172 | 101 call icopy( 1, iorec(nexthdrp), 1, magic, 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1285:72: 1285 | $ ssbb(lblo,kblo,j,i) ) | 1 Warning: Type mismatch in argument 'ir' at (1); passed INTEGER(8) to INTEGER(2) moints_aodisk.F:1606:29: 1606 | call icopy(1, r(1), 1, hdrp, 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1614:72: 1614 | call moints_aodisk_ijprint( ilen, jlen, r(ijp) ) | 1 Warning: Type mismatch in argument 'ijmap' at (1); passed REAL(8) to INTEGER(2) moints_aodisk.F:1566:35: 1566 | call icopy(1, iorec(1), 1, hdrp, 1 ) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1652:29: 1652 | call icopy(1, r(1), 1, hdrp, 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1660:18: 1660 | if (.not.(ao_ijverify( ilen, jlen, klen, llen, | 1 Warning: Type mismatch in argument 'ijmap' at (1); passed INTEGER(8) to INTEGER(2) Compiling moints_2x.F... Compiling moints_6x.F... Compiling moints_semi.F... moints_semi.F:1255:33: 1184 | if (eaf_read(munit, faddr, t, rlen).ne.0) | 2 ...... 1255 | if (eaf_read(munit, ioptr, v, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_semi.F:307:34: 307 | if (eaf_write(kunit, 0.d0, vtmp, | 1 ...... 959 | ierr=eaf_write(munit, faddr, dbl_mb(k_local+ooffset), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_semi.F:321:60: 163 | if (rtdb_get(rtdb, 'mp2:mxrlen', mt_int, 1, mxrlen_in)) | 2 ...... 321 | if (.not. rtdb_get(rtdb, 'mp2:copyback', mt_log, 1, mp2cpybck)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). moints_semi.F:1116:42: 849 | call ga_put( g_buf, ijolo, ijohi, 1, nvir, h2, nij ) | 2 ...... 1116 | call ga_put(g_epair,1,1,oj,oj,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling moints_aux2.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/moints' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/moints' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libmoints.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libmoints.a atwtest.o direct_mp2.o mointdriver.o moints_1e.o moints_dbg.o moints_gsh1.o moints_mem.o moints_mp2.o moints_stats.o moints_full.o sifs0.o sifs1.o moints_cutil.o moints_aodisk.o moints_2x.o moints_6x.o moints_semi.o moints_aux2.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libmoints.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libmoints.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libmoints.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/moints' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/moints' Making libraries in nwdft make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft' Compiling nwdft.F... nwdft.F:224:57: 171 | if (rtdb_get(rtdb,'dyall_mod_dir',mt_log,1,dyall_mod_dir)) then | 2 ...... 224 | if(.not.rtdb_get(rtdb,'cosmo_phase',mt_int,1,cosmo_phase)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Making all in include make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/include' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/include' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/include' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/include' Making all in input_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/input_dft' Compiling dft_inpana.F... dft_inpana.F:1087:28: 1069 | if (.not. rtdb_put(rtdb, 'dft:ipol', mt_int, 1, ipol)) | 2 ...... 1087 | & mt_dbl, numfunc, cfac(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_inpana.F:1108:55: 1066 | if(rtdb_get(rtdb, 'scf:nopen', MT_INT, 1, nopen)) then | 2 ...... 1108 | if (.not.rtdb_get(rtdb, 'scf:thresh', MT_DBL, 1, thresh)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling dft_rdinput.F... dft_rdinput.F:99:52: 73 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 99 | if (.not. rtdb_get(rtdb, 'charge', MT_DBL, 1, rcharge))then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_rdinput.F:206:23: 110 | & mt_log, 1, nodamping)) | 2 ...... 206 | & mt_int, 1, iterations)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dft_input.F... dft_input.F:184:53: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 184 | if (.not. rtdb_put(rtdb, 'dft:direct',mt_log,1,direct)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_input.F:348:59: 113 | if (.not. rtdb_get(rtdb, 'dft:ipol', mt_int, 1, ipol)) | 2 ...... 348 | if (.not. rtdb_get(rtdb, 'dft:gonwxc', mt_log, 1, gonwxc)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_input.F:483:7: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 483 | & nmo_fon)) call errquit('dft_input: rtdb_put failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_input.F:486:7: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 486 | & ncore_fon)) call errquit('dft_input: rtdb_put failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_input.F:619:24: 416 | 2200 if (.not. inp_f(smear_sigma)) then | 2 ...... 619 | if (.not. inp_f(alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). dft_input.F:924:52: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 924 | if (.not.rtdb_put(rtdb,'dft:owstart',mt_int,2,owstart)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_input.F:926:50: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 926 | if (.not.rtdb_put(rtdb,'dft:owend',mt_int,2,owend)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tol_inp.F... tol_inp.F:70:57: 56 | if (.not. rtdb_put(rtdb, 'dft:ltight', mt_log, 1, ltight)) | 2 ...... 70 | if (.not. rtdb_put(rtdb, 'dft:tol_rho', mt_dbl, 1, tol_rho)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling grid_inp.F... grid_inp.F:144:60: 81 | if (.not. rtdb_put(rtdb, 'dft:delley', mt_log, 1, ldelley)) | 2 ...... 144 | if (.not. rtdb_put(rtdb, 'dft:nradpts', mt_int, 1, nradpts)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling xc_inp.F... Compiling conv_inp.F... xc_inp.F:4094:55: 3890 | if (.not.rtdb_put(rtdb,'dft:ivdw', mt_int, 1, ivdw)) | 2 ...... 4094 | if (.not. rtdb_put(rtdb,'dft:mp2fac', mt_dbl, 1, mp2fac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). conv_inp.F:191:55: 77 | if (.not. rtdb_put(rtdb, 'dft:e_conv', mt_dbl, 1, e_conv)) | 2 ...... 191 | if (.not. rtdb_put(rtdb, 'dft:ncydp', mt_int, 1, ncydp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). conv_inp.F:391:61: 77 | if (.not. rtdb_put(rtdb, 'dft:e_conv', mt_dbl, 1, e_conv)) | 2 ...... 391 | if (.not.rtdb_put(rtdb,'dft:level shift info',MT_DBL,6,scfshift)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) conv_inp.F:407:61: 77 | if (.not. rtdb_put(rtdb, 'dft:e_conv', mt_dbl, 1, e_conv)) | 2 ...... 407 | if (.not.rtdb_put(rtdb,'dft:level shift info',MT_DBL,6,scfshift)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cdft_inp.F... cdft_inp.F:71:54: 32 | if (.not.rtdb_get(rtdb,'dft:grid_make_sa',mt_log,1,grid_make_sa)) | 2 ...... 71 | if (.not. rtdb_get(rtdb,'dft:ipop', mt_int, 1, ipop)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). cdft_inp.F:89:53: 66 | if (.not. rtdb_put(rtdb,'dft:dl_conv', mt_dbl, 1, dl_conv)) | 2 ...... 89 | if (.not. rtdb_put(rtdb,'dft:ipop', mt_int, 1, ipop)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling occup_input.F... occup_input.F:196:52: 194 | if (.not. rtdb_put(rtdb,'focc:occup_switch',mt_int,1,switch_focc)) | 2 195 | & call errquit(pname//'rtdb_put failed', 1201, RTDB_ERR) 196 | if (.not. rtdb_put(rtdb,'focc:occup',mt_int,2,nfocc_in)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) occup_input.F:199:23: 194 | if (.not. rtdb_put(rtdb,'focc:occup_switch',mt_int,1,switch_focc)) | 2 ...... 199 | & mt_dbl,nfocc,dbl_mb(k_occ))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/input_dft' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a dft_inpana.o dft_rdinput.o dft_input.o tol_inp.o grid_inp.o xc_inp.o conv_inp.o cdft_inp.o occup_input.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/input_dft' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/input_dft' Making all in scf_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/scf_dft' Compiling dft_swapab.F... Compiling dft_main0d.F... dft_main0d.F:118:59: 115 | if (.not. rtdb_put(rtdb, 'dft:energy', MT_DBL, 1, 0.d0)) | 2 ...... 118 | if (.not. rtdb_put(rtdb, 'dft:converged', MT_LOG, 1, .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). dft_main0d.F:140:50: 134 | if (.not. rtdb_get(rtdb, 'dft:scalanb',mt_int,1,nb)) | 2 ...... 140 | if(rtdb_get(rtdb,'bgj:xc_active', MT_LOG, 1,xc_active)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling dft_scf.F... dft_scf.F:276:43: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 276 | $ (rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_scf.F:405:7: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 405 | & nmo_fon)) call errquit('dft_scf: rtdb_get failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:408:7: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 408 | & ncore_fon)) call errquit('dft_scf: rtdb_get failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:459:53: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 459 | if (.not. rtdb_get(rtdb, 'dft:noc', mt_int, 2, noc)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:755:61: 363 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 755 | if (.not. rtdb_put(rtdb, 'dft:pstrace', mt_dbl, 1, pstrace)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_scf.F:1125:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1125 | $ rtdb_get(rtdb,'dft:iatms1', mt_int, nconstr,iatms1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1126:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1126 | $ .and. rtdb_get(rtdb,'dft:iatms2', mt_int, nconstr,iatms2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1127:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1127 | $ .and. rtdb_get(rtdb,'dft:fatms1', mt_int, nconstr,fatms1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1128:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1128 | $ .and. rtdb_get(rtdb,'dft:fatms2', mt_int, nconstr,fatms2) )) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1132:61: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1132 | if (.not. rtdb_get(rtdb,'dft:dtype', mt_int, nconstr,dtype)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1773:32: 1771 | call ecce_print1 ('iteration counter', mt_int, iter, 1) | 2 1772 | call ecce_print1 ('iterative total energy difference', 1773 | & mt_dbl, delta, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_scf.F:2466:53: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 2466 | if (.not. rtdb_get(rtdb,'dft:owstart',mt_int,2,owstart)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:2468:51: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 2468 | if (.not. rtdb_get(rtdb,'dft:owend',mt_int,2,owend)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling print_irrep_occp.F... Compiling dft_fockbld.F... dft_scf.F:1595:13: 1595 | if(lvan) then | ^ Warning: 'lvan' may be used uninitialized [-Wmaybe-uninitialized] dft_scf.F:56:18: 56 | logical lvan, do_ddl, lbrak, check | ^ note: 'lvan' was declared here dft_scf.F:1313:72: 1313 | & time2-time1 | ^ Warning: 'time1' may be used uninitialized [-Wmaybe-uninitialized] dft_scf.F:206:28: 206 | double precision time1,time2 | ^ note: 'time1' was declared here dft_scf.F:1313:72: 1313 | & time2-time1 | ^ Warning: 'time2' may be used uninitialized [-Wmaybe-uninitialized] dft_scf.F:206:34: 206 | double precision time1,time2 | ^ note: 'time2' was declared here dft_fockbld.F:125:42: 120 | $ rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 125 | $ rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dft_fockbld.F:392:39: 293 | if (.not.ga_duplicate(g_focks(1),g_cosmo,'cosmo')) | 2 ...... 392 | if(.not.ga_duplicate(g_vxc(1), g_vdim, 'dim:1')) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:394:21: 195 | call ga_zero(g_fock) | 2 ...... 394 | call ga_zero(g_vdim) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:397:34: 212 | Ecore = ga_ddot(g_dens(1), g_fock) | 2 ...... 397 | Edim = ga_ddot(g_dens(1), g_vdim) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:646:27: 323 | call ga_dadd(1d0, g_dens(1), -1d0, g_dens(2), g_dens(1)) | 2 ...... 646 | call ga_dadd(1.d0, g_vdim, 1.d0, g_focks(1), g_focks(1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:650:29: 300 | if (.not.ga_destroy(g_cosmo)) | 2 ...... 650 | if (.not. ga_destroy(g_vdim)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:207:72: 207 | & time2_ke-time1_ke | ^ Warning: 'time1_ke' may be used uninitialized [-Wmaybe-uninitialized] dft_fockbld.F:81:31: 81 | double precision time1_ke,time2_ke | ^ note: 'time1_ke' was declared here dft_fockbld.F:207:72: 207 | & time2_ke-time1_ke | ^ Warning: 'time2_ke' may be used uninitialized [-Wmaybe-uninitialized] dft_fockbld.F:81:40: 81 | double precision time1_ke,time2_ke | ^ note: 'time2_ke' was declared here dft_fockbld.F:282:72: 282 | & time2_pot-time1_pot | ^ Warning: 'time1_pot' may be used uninitialized [-Wmaybe-uninitialized] dft_fockbld.F:82:32: 82 | double precision time1_pot,time2_pot | ^ note: 'time1_pot' was declared here dft_fockbld.F:282:72: 282 | & time2_pot-time1_pot | ^ Warning: 'time2_pot' may be used uninitialized [-Wmaybe-uninitialized] dft_fockbld.F:82:42: 82 | double precision time1_pot,time2_pot | ^ note: 'time2_pot' was declared here Compiling dft_scfutil.F... dft_scfutil.F:109:72: 109 | & 1, 1, nbf_ao, 1, 1) | 1 Warning: More actual than formal arguments in procedure call at (1) dft_scfutil.F:153:58: 151 | & frac_occ )) frac_occ=.false. | 2 152 | c 153 | if (.not.rtdb_get(rtdb,'focc:occup_switch',mt_int,1,ifocc)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dft_symbr.F... Compiling dft_pstat.F... Compiling fukui.F... Compiling dft_canorg.F... dft_canorg.F:221:53: 212 | if (rtdb_get(rtdb, 'lindep:tol', mt_dbl, 1, toll_s).or. | 2 ...... 221 | if (rtdb_get(rtdb, 'lindep:n_dep', mt_int, 1, n_dep)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dft_diagn.F... dft_canorg.F:476:72: 476 | dft_nonzvecs=max(noc,dft_nonzvecs) | ^ Warning: '__result_dft_nonzvecs' may be used uninitialized [-Wmaybe-uninitialized] dft_canorg.F:420:35: 420 | integer function dft_nonzvecs(g_vecs,nbf,noc) | ^ note: '__result_dft_nonzvecs' was declared here dft_diagn.F:170:72: 170 | write(*,"(4x,'Diagonalization Time:',F13.1,'s')") time2-time1 | ^ Warning: 'time1' may be used uninitialized [-Wmaybe-uninitialized] dft_diagn.F:51:28: 51 | double precision time1,time2 | ^ note: 'time1' was declared here Compiling dft_dump_info.F... Compiling dft_fant.F... Compiling dft_printinfo.F... Compiling dft_fock_efield.F... dft_fock_efield.F:95:72: 95 | $ call errquit (pname//"invalid negative exp_cutoff") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling dft_frac_mo.F... dft_frac_mo.F:59:9: 44 | loccup = rtdb_get(rtdb,'focc:occup',mt_int,2,nfocc_in) ! read both nfocc_in(1) and nfocc_in(2) | 2 ...... 59 | & dbl_mb(k_occ)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling dft_nwmolden.F... dft_nwmolden.F:98:30: 57 | call ga_brdcst(2020, io_res, inntsize, 0) | 2 ...... 98 | call ga_brdcst(1984, eval, ispin, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling dft_spinflip.F... Compiling dft_quickguess.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/scf_dft' Compiling dft_dencvg.F... Compiling dft_densm.F... Compiling dft_invdiag.F... dft_densm.F:103:59: 103 | status=rtdb_get(rtdb,'focc:occup_switch', mt_int,1,switch_focc) | 1 ...... 510 | if (.not. rtdb_get(rtdb, 'dft:debugfon', mt_log, 1, debug)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dft_densm.F:147:31: 147 | if (.not. ga_duplicate(g_dens, g_tmp, 'ga_temp')) | 1 ...... 451 | if (.not. ga_duplicate(g_dens, g_tmp, 'ga_temp')) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_mxovl.F... Compiling dft_mxspin_ovlp.F... Compiling dft_s2_value.F... Compiling dft_scfcvg.F... Compiling diis_bld12.F... Compiling diis_bsolve.F... Compiling diis_core.F... Compiling diis_driver.F... Compiling diis_hamwgt.F... Compiling dft_fdist_init.F... Compiling cdft_util.F... cdft_util.F:965:11: 429 | if (.not. rtdb_get(rtdb, 'dft:nconstr', mt_int, 1, nconstr)) | 2 ...... 965 | $ multipliers(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/scf_dft' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/scf_dft' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a dft_swapab.o dft_main0d.o dft_scf.o print_irrep_occp.o dft_fockbld.o dft_scfutil.o dft_symbr.o dft_pstat.o fukui.o dft_canorg.o dft_diagn.o dft_dump_info.o dft_fant.o dft_printinfo.o dft_fock_efield.o dft_frac_mo.o dft_nwmolden.o dft_spinflip.o dft_quickguess.o dft_dencvg.o dft_densm.o dft_invdiag.o dft_mxovl.o dft_mxspin_ovlp.o dft_s2_value.o dft_scfcvg.o diis_bld12.o diis_bsolve.o diis_core.o diis_driver.o diis_hamwgt.o dft_fdist_init.o cdft_util.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/scf_dft' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/scf_dft' Making all in scf_dft_cg make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/scf_dft_cg' Compiling dft_cscf.F... Compiling dft_cg_answer.F... dft_cg_answer.F:39:56: 33 | if (.not. rtdb_put(rtdb,'scf:nclosed', mt_int, 1, nclosed)) | 2 ...... 39 | if (.not. rtdb_put(rtdb, 'dft:energy', MT_DBL, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling dft_cg_info.F... dft_cg_info.F:54:11: 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then | 2 ...... 54 | $ nr_gswitch)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_cg_info.F:60:56: 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then | 2 ...... 60 | if (.not.rtdb_get(rtdb, 'dft:skeleton',MT_LOG, 1, oskel)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). dft_cg_info.F:72:55: 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then | 2 ...... 72 | if (.not. rtdb_get(rtdb, 'dft:tol2e', MT_DBL, 1, tol2e)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dft_cg_guess.F... Compiling dft_cg_solve.F... dft_cg_solve.F:120:11: 113 | if (.not.rtdb_get(rtdb, 'dft:fon', mt_log, 1, fon)) fon=.false. | 2 ...... 120 | & ssmear))then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling dft_get_conv_info.F... Compiling dft_roks_energy.F... dft_roks_energy.F:108:45: 102 | $ rtdb,'cosmo:energy',mt_dbl,1,ecosmo)) | 2 ...... 108 | $ rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling dft_roks_fock.F... dft_roks_fock.F:384:25: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 384 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:384:46: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 384 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:407:25: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 407 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:407:46: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 407 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:450:58: 259 | if (.not. rtdb_put(rtdb,'dft:bq_energy',mt_dbl,1,Ebq)) | 2 ...... 450 | if (.not. rtdb_put(rtdb,'dft:xdmsave', mt_log, 1, .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). dft_roks_fock.F:435:72: 435 | & time2_2e-time1_2e | ^ Warning: 'time1_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_fock.F:110:31: 110 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_2e' was declared here dft_roks_fock.F:435:72: 435 | & time2_2e-time1_2e | ^ Warning: 'time2_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_fock.F:110:41: 110 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_2e' was declared here dft_roks_fock.F:472:72: 472 | & time2_xc-time1_xc | ^ Warning: 'time1_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_fock.F:110:51: 110 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_xc' was declared here dft_roks_fock.F:472:72: 472 | & time2_xc-time1_xc | ^ Warning: 'time2_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_fock.F:110:61: 110 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_xc' was declared here Compiling dft_roks_hessv_2e.F... dft_roks_hessv_2e.F:298:57: 282 | & calc_type)) then | 2 ...... 298 | if (.not. rtdb_get(rtdb, 'dft:rodft', mt_log, 1, rodft)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_roks_hessv_2e.F:265:72: 265 | & time2_2e-time1_2e | ^ Warning: 'time1_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_hessv_2e.F:38:31: 38 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_2e' was declared here dft_roks_hessv_2e.F:265:72: 265 | & time2_2e-time1_2e | ^ Warning: 'time2_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_hessv_2e.F:38:41: 38 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_2e' was declared here dft_roks_hessv_2e.F:371:72: 371 | & time2_xc-time1_xc | ^ Warning: 'time1_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_hessv_2e.F:38:51: 38 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_xc' was declared here dft_roks_hessv_2e.F:371:72: 371 | & time2_xc-time1_xc | ^ Warning: 'time2_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_hessv_2e.F:38:61: 38 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_xc' was declared here Compiling dft_roks_hessv.F... Compiling dft_roks_hessv_xx.F... Compiling dft_roks_nr_solve.F... dft_roks_nr_solve.F:292:72: 292 | & time2_rot-time1_rot | ^ Warning: 'time1_rot' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_nr_solve.F:58:32: 58 | double precision time1_rot, time2_rot | ^ note: 'time1_rot' was declared here dft_roks_nr_solve.F:292:72: 292 | & time2_rot-time1_rot | ^ Warning: 'time2_rot' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_nr_solve.F:58:43: 58 | double precision time1_rot, time2_rot | ^ note: 'time2_rot' was declared here Compiling dft_roks_search_precond.F... Compiling dft_roks_step_energy.F... Compiling dft_uks_energy.F... dft_uks_energy.F:331:49: 72 | & 'cphf_solve:cphf_uhf', mt_log, 1, cphf_uhf)) then | 2 ...... 331 | if (rtdb_get(rtdb,'dft:bq_energy',mt_dbl,1,Ebq)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_uks_energy.F:251:72: 251 | & time2_2e-time1_2e | ^ Warning: 'time1_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_energy.F:26:31: 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_2e' was declared here dft_uks_energy.F:251:72: 251 | & time2_2e-time1_2e | ^ Warning: 'time2_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_energy.F:26:41: 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_2e' was declared here dft_uks_energy.F:272:72: 272 | & time2_xc-time1_xc | ^ Warning: 'time1_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_energy.F:26:51: 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_xc' was declared here dft_uks_energy.F:272:72: 272 | & time2_xc-time1_xc | ^ Warning: 'time2_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_energy.F:26:61: 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_xc' was declared here Compiling dft_uks_hessv_2e.F... dft_uks_hessv_2e.F:204:72: 204 | & time2_2e-time1_2e | ^ Warning: 'time1_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_hessv_2e.F:41:31: 41 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_2e' was declared here dft_uks_hessv_2e.F:204:72: 204 | & time2_2e-time1_2e | ^ Warning: 'time2_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_hessv_2e.F:41:41: 41 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_2e' was declared here dft_uks_hessv_2e.F:265:72: 265 | & time2_xc-time1_xc | ^ Warning: 'time1_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_hessv_2e.F:41:51: 41 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_xc' was declared here dft_uks_hessv_2e.F:265:72: 265 | & time2_xc-time1_xc | ^ Warning: 'time2_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_hessv_2e.F:41:61: 41 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_xc' was declared here Compiling dft_uks_hessv.F... Compiling dft_uks_nr_solve.F... dft_uks_nr_solve.F:199:72: 199 | & time2_rot-time1_rot | ^ Warning: 'time1_rot' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_nr_solve.F:46:32: 46 | double precision time1_rot, time2_rot | ^ note: 'time1_rot' was declared here dft_uks_nr_solve.F:199:72: 199 | & time2_rot-time1_rot | ^ Warning: 'time2_rot' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_nr_solve.F:46:43: 46 | double precision time1_rot, time2_rot | ^ note: 'time2_rot' was declared here Compiling dft_uks_search_precond.F... Compiling dft_uks_step_energy.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/scf_dft_cg' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a dft_cscf.o dft_cg_answer.o dft_cg_info.o dft_cg_guess.o dft_cg_solve.o dft_get_conv_info.o dft_roks_energy.o dft_roks_fock.o dft_roks_hessv_2e.o dft_roks_hessv.o dft_roks_hessv_xx.o dft_roks_nr_solve.o dft_roks_search_precond.o dft_roks_step_energy.o dft_uks_energy.o dft_uks_hessv_2e.o dft_uks_hessv.o dft_uks_nr_solve.o dft_uks_search_precond.o dft_uks_step_energy.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/scf_dft_cg' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/scf_dft_cg' Making all in so_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/so_dft' Compiling dft_scf_so.F... dft_scf_so.F:311:37: 305 | $ (rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 311 | $ (rtdb,'cosmo:gcds',mt_dbl,1,gcds)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_scf_so.F:708:60: 348 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 708 | if (.not. rtdb_put(rtdb, 'dft:pstrace', mt_dbl, 1, pstrace)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_scf_so.F:1289:48: 1254 | call int_1e_ga(ao_bas_han, ao_bas_han, g_fock, 'kinetic', oskel) | 2 ...... 1289 | call int_1e_ga(ao_bas_han, ao_bas_han, g_so, 'so', oskel) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf_so.F:1886:32: 1884 | call ecce_print1 ('iteration counter', mt_int, iter, 1) | 2 1885 | call ecce_print1 ('iterative total energy difference', 1886 | & mt_dbl, -etold+etnew, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_scf_so.F:2326:53: 348 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 2326 | if(.not.rtdb_put(rtdb,'sodft:swap',mt_int,2,swap)) ! swap is queried in movecs_swap_so | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf_so.F:2351:53: 348 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 2351 | if(.not.rtdb_put(rtdb,'sodft:swap',mt_int,2,swap)) ! swap is queried in movecs_swap_so | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_densmso.F... Compiling dft_mxovlso.F... dft_scf_so.F:1760:72: 1760 | ihigh = nfilled + nmo_fon + nmo_fon2 | ^ Warning: 'nfilled' may be used uninitialized [-Wmaybe-uninitialized] dft_scf_so.F:60:21: 60 | integer nfilled, ilow, ihigh | ^ note: 'nfilled' was declared here Compiling grad_force_so.F... grad_force_so.F:269:63: 267 | if (.not. rtdb_get(rtdb, 'dft:cdfit', mt_log, 1, ocdfit)) | 2 268 | $ ocdfit = .false. 269 | if (.not. rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, xfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling dft_gradients_so.F... dft_gradients_so.F:486:34: 484 | call intdd_init(rtdb,2,nmo) | 2 485 | else 486 | call intdd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_gradients_so.F:526:33: 524 | call intd_init(rtdb,2,nmo) | 2 525 | else 526 | call intd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling vectors_so.F... Compiling grad_dens_so.F... vectors_so.F:164:43: 164 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, mdtob(nbf), 0) | 1 ...... 821 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, mitob(1), 0) ! Propagate status | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). vectors_so.F:264:48: 264 | $ 'movecs_gather_so: ga_destroy failed', g_tmp, GA_ERR) | 1 ...... 808 | $ call errquit('matrix_fwrite: ma failed', nrow, MA_ERR) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling grad1_so.F... Compiling diis_driver_so.F... vectors_so.F:676:72: 676 | end | ^ Warning: '__result_movecs_converged_so' may be used uninitialized [-Wmaybe-uninitialized] vectors_so.F:575:42: 575 | logical function movecs_converged_so | ^ note: '__result_movecs_converged_so' was declared here vectors_so.F:917:72: 917 | end | ^ Warning: '__result_spinor_guess' may be used uninitialized [-Wmaybe-uninitialized] vectors_so.F:859:35: 859 | logical function spinor_guess(filename) | ^ note: '__result_spinor_guess' was declared here Compiling diis_bsolve_so.F... Compiling diis_bld12_so.F... Compiling diis_core_so.F... Compiling diis_hamwgt_so.F... Compiling diis_refvec_so.F... diis_refvec_so.F:29:43: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 29 | call ga_get(g_err(1),1,i-1,i,i,colre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:30:43: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 30 | call ga_get(g_err(1),i,i,1,i-1,rowre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:31:41: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 31 | call ga_get(g_err(2),1,i,i,i,colim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:32:43: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 32 | call ga_get(g_err(2),i,i,1,i-1,rowim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:42:41: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 42 | call ga_put(g_err(1),1,i,i,i,colre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:43:43: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 43 | call ga_put(g_err(1),i,i,1,i-1,rowre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:44:41: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 44 | call ga_put(g_err(2),1,i,i,i,colim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:45:43: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 45 | call ga_put(g_err(2),i,i,1,i-1,rowim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling movecs_anal_so.F... movecs_anal_so.F:464:49: 462 | call ga_dgemm('n','n',nbf,nmo,nbf,1.0d0,g_tmp1,g_vecs, | 2 463 | $ 0.0d0,g_tmp2) 464 | call ga_dgemm('t','n',nmo,nmo,nbf,1.0d0,g_vecs,g_tmp2, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) movecs_anal_so.F:464:56: 462 | call ga_dgemm('n','n',nbf,nmo,nbf,1.0d0,g_tmp1,g_vecs, | 2 463 | $ 0.0d0,g_tmp2) 464 | call ga_dgemm('t','n',nmo,nmo,nbf,1.0d0,g_vecs,g_tmp2, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling getv_coul.F... Compiling getv_exch0.F... Compiling getv_exchX.F... Compiling getv_exchY.F... Compiling getv_exchZ.F... Compiling getv_dftxc.F... Compiling sym_mo_adapt_so.F... sym_mo_adapt_so.F:436:30: 435 | call ga_igop(msg_sym_1, nmixed, 1, '+') | 2 436 | call ga_igop(msg_sym_2, irs, nvec, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) sym_mo_adapt_so.F:343:18: 343 | if(i1 .eq. pair)i1 = i2 | ^ Warning: 'pair' may be used uninitialized [-Wmaybe-uninitialized] sym_mo_adapt_so.F:43:53: 43 | integer class, i, j, ioff, ir, ii, i1, i2, pair | ^ note: 'pair' was declared here sym_mo_adapt_so.F:349:72: 349 | irs(i) = i1 | ^ Warning: 'i2' may be used uninitialized [-Wmaybe-uninitialized] sym_mo_adapt_so.F:43:47: 43 | integer class, i, j, ioff, ir, ii, i1, i2, pair | ^ note: 'i2' was declared here Compiling sym_char_tab_so.F... Compiling scf_sym_adap_so.F... Compiling sym_mo_ap_op_so.F... Compiling sym_op_clsfy_so.F... Compiling ga_orth_mos_so.F... Compiling ga_orthog_so.F... Compiling sym_op_cname_so.F... Compiling grad_dens_so2.F... Compiling dft_scf_utils_so.F... Compiling dft_frac_mo_so.F... dft_frac_mo_so.F:59:9: 48 | loccup = rtdb_get(rtdb,'focc:occup',mt_int,2,nfocc_in) | 2 ...... 59 | & dbl_mb(k_occ)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling xc_exso.F... Compiling getv_coul_cd.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/so_dft' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a dft_scf_so.o dft_densmso.o dft_mxovlso.o grad_force_so.o dft_gradients_so.o vectors_so.o grad_dens_so.o grad1_so.o diis_driver_so.o diis_bsolve_so.o diis_bld12_so.o diis_core_so.o diis_hamwgt_so.o diis_refvec_so.o movecs_anal_so.o getv_coul.o getv_exch0.o getv_exchX.o getv_exchY.o getv_exchZ.o getv_dftxc.o sym_mo_adapt_so.o sym_char_tab_so.o scf_sym_adap_so.o sym_mo_ap_op_so.o sym_op_clsfy_so.o ga_orth_mos_so.o ga_orthog_so.o sym_op_cname_so.o grad_dens_so2.o dft_scf_utils_so.o dft_frac_mo_so.o xc_exso.o getv_coul_cd.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/so_dft' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/so_dft' Making all in coulomb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/coulomb' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/coulomb' Compiling dft_3cincor.F... Compiling dft_mem3c.F... dft_3cincor.F:91:26: 91 | integer size_atblock | ^ Warning: 'size_atblock' may be used uninitialized [-Wmaybe-uninitialized] Compiling dft_fitcd.F... dft_fitcd.F:93:33: 91 | call ycopy(nbf_cd*nfit, Tvec, 1, dbl_mb(iTvec), 1) | 2 92 | else 93 | call ycopy(nbf_cd*nfit, 0.D0, 0, Dbl_MB(iTvec), 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_fitcd.F:202:25: 91 | call ycopy(nbf_cd*nfit, Tvec, 1, dbl_mb(iTvec), 1) | 2 ...... 202 | call ycopy(nbf_cd,0.D0,0,dbl_mb(iTcgtf),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dft_fitvc.F... Compiling dft_genspm.F... Compiling dft_get2eri.F... Compiling dft_getspm.F... Compiling dft_getvc.F... Compiling dft_n3c.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/coulomb' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/coulomb' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a dft_3cincor.o dft_mem3c.o dft_fitcd.o dft_fitvc.o dft_genspm.o dft_get2eri.o dft_getspm.o dft_getvc.o dft_n3c.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/coulomb' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/coulomb' Making all in xc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/xc' Compiling xc_getv.F... Compiling xc_getvxc.F... Compiling xc_exact_pot.F... Compiling xc_sicutil.F... Compiling chk_dens.F... Compiling xc_util.F... xc_util.F:368:55: 363 | xc_getxcfac=rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, | 2 ...... 368 | if(.not.rtdb_get(rtdb, 'dft:libxcon', mt_log, 1, dolibxc)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). xc_util.F:463:54: 455 | if (.not.rtdb_put(rtdb,'dft:cam_exch', mt_log, 1, cam_exch)) | 2 ...... 463 | if (.not.rtdb_put(rtdb,'dft:cam_omega',mt_dbl,1,cam_omega)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling xc_chkdispauto.F... Compiling xc_vdw_init.F... Compiling 2ndDerivB97.c... 2ndDerivB97.c: In function 'dft_xckernel_cb97_': 2ndDerivB97.c:499:21: warning: variable 'Gec_b0' set but not used [-Wunused-but-set-variable] 499 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ 2ndDerivB97.c:499:10: warning: variable 'Gec_a0' set but not used [-Wunused-but-set-variable] 499 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/xc' 2ndDerivB97.c:593:13: warning: 'Gec_b0_rb' may be used uninitialized [-Wmaybe-uninitialized] 593 | Gec_ab_rb = Gec_ab_rb - Gec_b0_rb; | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~ 2ndDerivB97.c:501:10: note: 'Gec_b0_rb' was declared here 501 | double Gec_b0_rb,Gec_b0_rbrb; | ^~~~~~~~~ 2ndDerivB97.c:592:13: warning: 'Gec_a0_ra' may be used uninitialized [-Wmaybe-uninitialized] 592 | Gec_ab_ra = Gec_ab_ra - Gec_a0_ra; | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~ 2ndDerivB97.c:500:10: note: 'Gec_a0_ra' was declared here 500 | double Gec_a0_ra,Gec_a0_rara; | ^~~~~~~~~ Compiling xc_eval_basis.F... xc_eval_basis.F:2530:20: 1031 | call ycopy(nq, drad, 1, chi, 1) | 2 ...... 2530 | call ycopy(nq,0d0,0,crad,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling a_dist.F... Compiling eumac.F... Compiling qdist.F... Compiling scat_mat.F... Compiling setACmat.F... Compiling xc_becke88.F... Compiling xc_dirac.F... Compiling xc_bnl.F... Compiling xc_dirac_screened.F... Compiling xc_fitv.F... Compiling xc_hfexch.F... Compiling xc_lebedev.F... Compiling xc_lyp88.F... Compiling xc_perdew86.F... Compiling xc_perdew91.F... Compiling xc_pw91lda.F... Compiling xc_pw91ldag.F... Compiling xc_rhogen.F... Compiling xc_tabcd.F... Compiling xc_vwn_1.F... Compiling xc_vwn_1_rpa.F... Compiling xc_vwn_2.F... Compiling xc_vwn_3.F... Compiling xc_vwn_4.F... Compiling xc_vwn_5.F... Compiling xc_eval_fnl.F... xc_eval_fnl.F:2046:29: 2046 | & 0d0, .false., 0d0, | 1 Warning: Rank mismatch in argument 'laprho' at (1) (rank-1 and scalar) xc_eval_fnl.F:2046:43: 2046 | & 0d0, .false., 0d0, | 1 Warning: Rank mismatch in argument 'lmat' at (1) (rank-1 and scalar) Compiling xc_fd.F... Compiling xc_pbe96.F... Compiling xc_hcth.F... xc_pbe96.F:30:26: 30 | double precision fac, facl | ^ Warning: 'fac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:934:13: 934 | if (id_cpbe.eq.3) then | ^ Warning: 'id_cpbe' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:24:31: 24 | integer ipol, nq, id_cpbe | ^ note: 'id_cpbe' was declared here xc_pbe96.F:374:36: 374 | if (abs(cfac(6)).gt.EPS.or.lfac) then | ^ Warning: 'lfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:18: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'lfac' was declared here xc_pbe96.F:1423:13: 1423 | if (nlfac) then | ^ Warning: 'nlfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:25: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here Compiling xc_xpbe96.F... xc_pbe96.F:30:26: 30 | double precision fac, facl | ^ Warning: 'fac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:934:13: 934 | if (id_cpbe.eq.3) then | ^ Warning: 'id_cpbe' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:24:31: 24 | integer ipol, nq, id_cpbe | ^ note: 'id_cpbe' was declared here xc_pbe96.F:374:36: 374 | if (abs(cfac(6)).gt.EPS.or.lfac) then | ^ Warning: 'lfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:18: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'lfac' was declared here xc_pbe96.F:1423:13: 1423 | if (nlfac) then | ^ Warning: 'nlfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:25: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here Compiling xc_xpw91.F... Compiling xc_tarad.F... xc_pbe96.F:30:26: 30 | double precision fac, facl | ^ Warning: 'fac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:934:13: 934 | if (id_cpbe.eq.3) then | ^ Warning: 'id_cpbe' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:24:31: 24 | integer ipol, nq, id_cpbe | ^ note: 'id_cpbe' was declared here xc_pbe96.F:374:36: 374 | if (abs(cfac(6)).gt.EPS.or.lfac) then | ^ Warning: 'lfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:18: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'lfac' was declared here xc_pbe96.F:1423:13: 1423 | if (nlfac) then | ^ Warning: 'nlfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:25: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here xc_pbe96.F:1102:72: 1102 | & /(fAtden3)*dfAtdendA | ^ Warning: 'dfatnumda' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:107:51: 107 | double precision fAtnum, dfAtnumdt, dfAtnumdA | ^ note: 'dfatnumda' was declared here xc_pbe96.F:1102:72: 1102 | & /(fAtden3)*dfAtdendA | ^ Warning: 'dfatnumdt' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:107:40: 107 | double precision fAtnum, dfAtnumdt, dfAtnumdA | ^ note: 'dfatnumdt' was declared here xc_pbe96.F:1085:72: 1085 | fAtden3 = fAtden2*fAtden | ^ Warning: 'fatden2' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:124:30: 124 | double precision fAtden2 | ^ note: 'fatden2' was declared here xc_pbe96.F:1169:72: 1169 | D + d3fAtnumdt2dA/fAtden | ^ Warning: 'd2fatnumdt2' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:137:34: 137 | double precision d2fAtnumdt2, d2fAtnumdtdA, d2fAtnumdA2 | ^ note: 'd2fatnumdt2' was declared here xc_pbe96.F:1181:72: 1181 | B (fAtden4) | ^ Warning: 'd2fatnumdtda' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:137:48: 137 | double precision d2fAtnumdt2, d2fAtnumdtdA, d2fAtnumdA2 | ^ note: 'd2fatnumdtda' was declared here Compiling xc_murakn.F... Compiling xc_mitani.F... Compiling xc_mitani_dmr.F... Compiling xc_signf.F... Compiling xc_gill96.F... Compiling xc_xmpw91.F... Compiling xc_xpkzb99.F... Compiling xc_cpkzb99.F... Compiling xc_cMpbe96.F... Compiling xc_xtpss03.F... Compiling xc_ctpss03.F... Compiling xc_oep.F... Compiling xc_sic_pert.F... Compiling xc_sic.F... Compiling localize_sic.F... Compiling xc_optx.F... Compiling xc_optc.F... Compiling xc_atomblock.F... Compiling xc_replicated.F... Compiling xc_ft97.F... Compiling xc_lb94.F... Compiling xc_cs00.F... Compiling xc_op.F... Compiling xc_kop.F... Compiling xc_bc95.F... Compiling xc_xm05.F... xc_xm05.F:53:26: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ Warning: 'at1' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:54:31: 54 | double precision at, at10, at11, C1, C2, fL, fNL | ^ Warning: 'at10' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:54:37: 54 | double precision at, at10, at11, C1, C2, fL, fNL | ^ Warning: 'at11' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at2' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:31: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at2' was declared here xc_xm05.F:53:36: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ Warning: 'at3' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:41: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ Warning: 'at4' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:46: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ Warning: 'at5' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:51: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ Warning: 'at6' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:56: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ Warning: 'at7' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:61: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ Warning: 'at8' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:66: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ Warning: 'at9' may be used uninitialized [-Wmaybe-uninitialized] Compiling xc_cm05.F... xc_cm05.F:350:72: 350 | dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) | ^ Warning: 'sss1' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:36: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss1' was declared here xc_cm05.F:350:72: 350 | dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) | ^ Warning: 'sss2' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:42: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss2' was declared here xc_cm05.F:350:72: 350 | dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) | ^ Warning: 'sss3' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:48: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss3' was declared here xc_cm05.F:339:72: 339 | W = sss0+U*(sss1+U*(sss2+U*(sss3+U*sss4))) | ^ Warning: 'sss4' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:54: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss4' was declared here Compiling xc_xpw6.F... xc_cm05.F:220:72: 220 | W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) | ^ Warning: 'sopp1' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:41: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp1' was declared here xc_cm05.F:220:72: 220 | W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) | ^ Warning: 'sopp2' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:47: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp2' was declared here xc_cm05.F:220:72: 220 | W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) | ^ Warning: 'sopp3' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:54: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp3' was declared here xc_cm05.F:220:72: 220 | W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) | ^ Warning: 'sopp4' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:61: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp4' was declared here Compiling xc_xvs98.F... Compiling xc_cvs98.F... Compiling xc_xm06.F... Compiling xc_cm06.F... Compiling xc_spbe96.F... Compiling xc_kt1.F... Compiling xc_ssbD_1.F... Compiling xc_s12x.F... Compiling xc_cams12x.F... Compiling xc_camb88.F... Compiling xc_att_xc.F... Compiling xc_camxpbe96.F... Compiling xc_camxlsd.F... Compiling xc_xwpbe.F... Compiling hse08fx.F... Compiling xc_xsogga.F... xc_xsogga.F:56:27: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ Warning: 'cxa0' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:32: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ Warning: 'cxa1' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:37: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ Warning: 'cxa2' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:42: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ Warning: 'cxa3' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:47: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ Warning: 'cxa4' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:52: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ Warning: 'cxa5' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:32: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ Warning: 'cxb1' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:37: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ Warning: 'cxb2' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:42: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ Warning: 'cxb3' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:47: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ Warning: 'cxb4' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:52: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ Warning: 'cxb5' may be used uninitialized [-Wmaybe-uninitialized] Compiling xc_xmvs15.F... Compiling xc_xm11.F... Compiling xc_xmn12.F... Compiling xc_xmn15.F... Compiling xc_csogga.F... xc_csogga.F:65:31: 65 | double precision CcA(0:5),CcB(0:5) | ^ Warning: 'cca[1]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: Warning: 'cca[2]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: Warning: 'cca[3]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: Warning: 'cca[4]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: Warning: 'cca[5]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: 65 | double precision CcA(0:5),CcB(0:5) | ^ Warning: 'ccb[1]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: Warning: 'ccb[2]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: Warning: 'ccb[3]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: Warning: 'ccb[4]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: Warning: 'ccb[5]' may be used uninitialized [-Wmaybe-uninitialized] Compiling xc_cm11.F... Compiling steric_energy.F... Compiling xc_3rd_deriv.F... Compiling xc_xpw86.F... Compiling xc_xb86b.F... Compiling xc_xdm.F... xc_xdm.F:29:56: 25 | & lxdm)) lxdm = 0 | 2 ...... 29 | if (.not. rtdb_get(rtdb,'dft:xdmsave', mt_log, 1, savedvml)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling ts_eval_fnl.F... Compiling ts_tf.F... Compiling ts_vw.F... Compiling xc_xn12.F... xc_xn12.F:196:11: 196 | CC00 = 1.00000D+00 | ^ Warning: 'cc00' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:197:11: 197 | CC01 = 5.07880D-01 | ^ Warning: 'cc01' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:198:11: 198 | CC02 = 1.68233D-01 | ^ Warning: 'cc02' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:199:11: 199 | CC03 = 1.28887D-01 | ^ Warning: 'cc03' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:200:11: 200 | CC10 = 8.60211D-02 | ^ Warning: 'cc10' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:201:11: 201 | CC11 = -1.71008D+01 | ^ Warning: 'cc11' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:202:11: 202 | CC12 = 6.50814D+01 | ^ Warning: 'cc12' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:203:11: 203 | CC13 = -7.01726D+01 | ^ Warning: 'cc13' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:204:11: 204 | CC20 = -3.90755D-01 | ^ Warning: 'cc20' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:205:11: 205 | CC21 = 5.13392D+01 | ^ Warning: 'cc21' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:206:11: 206 | CC22 = -1.66220D+02 | ^ Warning: 'cc22' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:207:11: 207 | CC23 = 1.42738D+02 | ^ Warning: 'cc23' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:208:11: 208 | CC30 = 4.03611D-01 | ^ Warning: 'cc30' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:209:11: 209 | CC31 = -3.44631D+01 | ^ Warning: 'cc31' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:210:11: 210 | CC32 = 7.61661D+01 | ^ Warning: 'cc32' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:211:11: 211 | CC33 = -2.41834D+00 | ^ Warning: 'cc33' may be used uninitialized [-Wmaybe-uninitialized] Compiling xc_xscan.F... xc_xscan.F:334:72: 334 | dFxda = G*(dHda + dFada*(rH0 - H) - Fa*dHda) | ^ Warning: 'dfada' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:154:28: 154 | double precision dFada | ^ note: 'dfada' was declared here xc_xscan.F:145:42: 145 | double precision regalpha, dregalpha | ^ Warning: 'dregalpha' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:281:72: 281 | Fx = G*(H + Fa*(rH0 - H)) | ^ Warning: 'fa' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:149:29: 149 | double precision Fx, Fa | ^ note: 'fa' was declared here xc_xscan.F:232:72: 232 | oma = 1d0 - regalpha | ^ Warning: 'regalpha' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:145:31: 145 | double precision regalpha, dregalpha | ^ note: 'regalpha' was declared here xc_xscan.F:298:72: 298 | dadr = 5d0/3d0*(p - a)*tauU*rrho/(tauU +1d-4*facttwo**f53) | ^ Warning: 'a' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:135:32: 135 | double precision p, p14, a, g2 | ^ note: 'a' was declared here xc_xscan.F:323:72: 323 | dFada = -(rC1*exp4 + rD*exp5*rC2)/oma2 | ^ Warning: 'exp4' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:143:45: 143 | double precision exp1, exp2, exp3, exp4, exp5 | ^ note: 'exp4' was declared here xc_xscan.F:329:72: 329 | dFada = -rD*exp5*rC2/oma2*dregalpha | ^ Warning: 'exp5' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:143:51: 143 | double precision exp1, exp2, exp3, exp4, exp5 | ^ note: 'exp5' was declared here xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ Warning: 'rtemp[1]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[2]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[2]' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[3]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[3]' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[4]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[4]' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[5]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[5]' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[6]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[6]' was declared here xc_xscan.F:337:72: 337 | dFxdg = dFxda*dadg + dFxdp*dpdg | ^ Warning: 'dadg' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:159:32: 159 | double precision dadp,dadg,dadt,dadr | ^ note: 'dadg' was declared here xc_xscan.F:159:42: 159 | double precision dadp,dadg,dadt,dadr | ^ Warning: 'dadr' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:159:37: 159 | double precision dadp,dadg,dadt,dadr | ^ Warning: 'dadt' may be used uninitialized [-Wmaybe-uninitialized] Compiling xc_cscan.F... xc_cscan.F:115:33: 115 | double precision fca,dfcada,dfcadg,dfcadzeta,dfcadn | ^ Warning: 'dfcada' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:341:72: 341 | & fca*(dEc0dg-dEc1dg) + dfcadg*(Ec0-Ec1)) | ^ Warning: 'fca' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:115:26: 115 | double precision fca,dfcada,dfcadg,dfcadzeta,dfcadn | ^ note: 'fca' was declared here xc_cscan.F:278:72: 278 | oma = 1d0 - regalpha | ^ Warning: 'regalpha' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:135:31: 135 | double precision regalpha, dregalpha | ^ note: 'regalpha' was declared here xc_cscan.F:323:72: 323 | dalphadn = 5d0/3d0*(p/ds-alpha)*tueg/((tueg+1d-4*ds)*ntot) | ^ Warning: 'alpha' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:113:28: 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'alpha' was declared here xc_cscan.F:341:72: 341 | & fca*(dEc0dg-dEc1dg) + dfcadg*(Ec0-Ec1)) | ^ Warning: 'dalphadg' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:113:58: 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'dalphadg' was declared here xc_cscan.F:332:72: 332 | & ntot*(dEc1dn + fca*(dEc0dn-dEc1dn) + dfcadn*(Ec0-Ec1)) | ^ Warning: 'dalphadn' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:113:49: 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'dalphadn' was declared here xc_cscan.F:346:72: 346 | & ntot*dfcada*dalphadt*(Ec0-Ec1) | ^ Warning: 'dalphadt' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:113:67: 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'dalphadt' was declared here Compiling xc_xscanl.F... Compiling xc_cscanl.F... xc_cscanl.F:359:72: 359 | & dfcadt*(Ec0-Ec1)*dtdgb) | ^ Warning: 'dtdgb' may be used uninitialized [-Wmaybe-uninitialized] xc_cscanl.F:112:49: 112 | double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn | ^ note: 'dtdgb' was declared here xc_cscanl.F:361:72: 361 | Lmat(n,2) = Lmat(n,2) + ntot*dfcadt*dtdlb*(Ec0-Ec1) | ^ Warning: 'dtdlb' may be used uninitialized [-Wmaybe-uninitialized] xc_cscanl.F:112:63: 112 | double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn | ^ note: 'dtdlb' was declared here xc_cscanl.F:112:35: 112 | double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn | ^ Warning: 'dtdnb' may be used uninitialized [-Wmaybe-uninitialized] Compiling ts_pc.F... Compiling xc_xncap.F... Compiling xc_xr2scan.F... Compiling xc_xr2scanl.F... Compiling xc_cr2scan.F... Compiling xc_cr2scanl.F... xc_vdw_init.F:206:34: 206 | subroutine init_c6_params_d3 | ^ note: variable tracking size limit exceeded with '-fvar-tracking-assignments', retrying without Compiling xc_hcth_extra.F... Compiling xc_rhogen_adft.F... Compiling xc_tabcd_adft.F... Compiling xc_vdw_main.F... xc_vdw_main.F:516:53: 479 | if (.not.rtdb_get(rtdb,'dft:ivdw',MT_INT,1,ivdw)) | 2 ...... 516 | if (.not.rtdb_get(rtdb,'dft:vdwalpha',MT_DBL,1,alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling xc_vdw_util.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/xc' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/xc' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a xc_getv.o xc_getvxc.o xc_exact_pot.o xc_sicutil.o chk_dens.o xc_util.o xc_chkdispauto.o xc_vdw_init.o 2ndDerivB97.o xc_eval_basis.o a_dist.o eumac.o qdist.o scat_mat.o setACmat.o xc_becke88.o xc_dirac.o xc_bnl.o xc_dirac_screened.o xc_fitv.o xc_hfexch.o xc_lebedev.o xc_lyp88.o xc_perdew86.o xc_perdew91.o xc_pw91lda.o xc_pw91ldag.o xc_rhogen.o xc_tabcd.o xc_vwn_1.o xc_vwn_1_rpa.o xc_vwn_2.o xc_vwn_3.o xc_vwn_4.o xc_vwn_5.o xc_eval_fnl.o xc_fd.o xc_pbe96.o xc_hcth.o xc_xpbe96.o xc_xpw91.o xc_tarad.o xc_murakn.o xc_mitani.o xc_mitani_dmr.o xc_signf.o xc_gill96.o xc_xmpw91.o xc_xpkzb99.o xc_cpkzb99.o xc_cMpbe96.o xc_xtpss03.o xc_ctpss03.o xc_oep.o xc_sic_pert.o xc_sic.o localize_sic.o xc_optx.o xc_optc.o xc_atomblock.o xc_replicated.o xc_ft97.o xc_lb94.o xc_cs00.o xc_op.o xc_kop.o xc_bc95.o xc_xm05.o xc_cm05.o xc_xpw6.o xc_xvs98.o xc_cvs98.o xc_xm06.o xc_cm06.o xc_spbe96.o xc_kt1.o xc_ssbD_1.o xc_s12x.o xc_cams12x.o xc_camb88.o xc_att_xc.o xc_camxpbe96.o xc_camxlsd.o xc_xwpbe.o hse08fx.o xc_xsogga.o xc_xmvs15.o xc_xm11.o xc_xmn12.o xc_xmn15.o xc_csogga.o xc_cm11.o steric_energy.o xc_3rd_deriv.o xc_xpw86.o xc_xb86b.o xc_xdm.o ts_eval_fnl.o ts_tf.o ts_vw.o xc_xn12.o xc_xscan.o xc_cscan.o xc_xscanl.o xc_cscanl.o ts_pc.o xc_xncap.o xc_xncap.o xc_xr2scan.o xc_xr2scanl.o xc_cr2scan.o xc_cr2scanl.o xc_hcth_extra.o xc_rhogen_adft.o xc_tabcd_adft.o xc_vdw_main.o xc_vdw_util.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/xc' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/xc' Making all in util make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/util' Compiling ga_chol.F... Compiling ga_inverse.F... Compiling ga_chol_seq.F... Compiling ga_inv_seq.F... Compiling dft_invio.F... Compiling dft_print_mats.F... dft_print_mats.F:85:27: 62 | call ga_get(g_s, ibf, ibf, jbf, jbf, val, 1) | 2 ...... 85 | call ga_get(g_svecs, ibf, ibf, jbf, jbf, val, 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_save_mats.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/util' Compiling dft_gather.F... Compiling dft_header.F... Compiling dft_mpole.F... Compiling dft_scatter.F... Compiling dft_tstamp.F... Compiling dft_pstrace.F... Compiling get_col.F... Compiling movecs_log.F... Compiling nbf_to_mbf.F... Compiling dft_frozemb.F... Compiling dft_frozemb_fde.F... dft_frozemb_fde.F:238:20: 37 | if (rtdb_get(rtdb, 'dft:cam_exch', mt_log, 1, cam_exch)) then | 2 ...... 238 | & mt_dbl,1,tol2e_sleazy)) tol2e_sleazy = 1.d-4 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_frozemb_fde.F:360:41: 360 | call grid_quadv0_fde(rtdb, g_dens, g_electronic_fde, | 1 Warning: Rank mismatch in argument 'g_vxc' at (1) (rank-1 and scalar) dft_frozemb_fde.F:492:31: 202 | call dfill(nbf_fde, 0.0d0, dbl_mb(k_svals), 1) | 2 ...... 492 | call dfill(mbf_ao*mbf_ao,0,dbl_mb(k_fock_fde),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling int_1e_fde.F... Compiling sca_lab_mat.F... Compiling dft_utilmap.F... Compiling dft_genutils.F... dft_utilmap.F:125:72: 125 | A (get_lo(3).le.get_hi(3)) | ^ Warning: 'get_lo' may be used uninitialized [-Wmaybe-uninitialized] dft_utilmap.F:70:23: 70 | integer get_lo(3),get_hi(3) | ^ note: 'get_lo' declared here dft_utilmap.F:125:72: 125 | A (get_lo(3).le.get_hi(3)) | ^ Warning: 'get_hi' may be used uninitialized [-Wmaybe-uninitialized] dft_utilmap.F:70:33: 70 | integer get_lo(3),get_hi(3) | ^ note: 'get_hi' declared here dft_utilmap.F:125:72: 125 | A (get_lo(3).le.get_hi(3)) | ^ Warning: 'get_lo' may be used uninitialized [-Wmaybe-uninitialized] dft_utilmap.F:70:23: 70 | integer get_lo(3),get_hi(3) | ^ note: 'get_lo' declared here dft_utilmap.F:125:72: 125 | A (get_lo(3).le.get_hi(3)) | ^ Warning: 'get_hi' may be used uninitialized [-Wmaybe-uninitialized] dft_utilmap.F:70:33: 70 | integer get_lo(3),get_hi(3) | ^ note: 'get_hi' declared here dft_genutils.F:45:72: 45 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dft_genutils.F:125:28: 36 | call ga_check_handle (g_a, | 2 ...... 125 | call ga_check_handle (g_a, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_genutils.F:128:23: 39 | call ga_inquire (g_a, dtype, n1, n2) | 2 ...... 128 | call ga_inquire (g_a, dtype, n1, n2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_genutils.F:134:72: 134 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling dft_cholinv.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/util' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/util' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a ga_chol.o ga_inverse.o ga_chol_seq.o ga_inv_seq.o dft_invio.o dft_print_mats.o dft_save_mats.o dft_gather.o dft_header.o dft_mpole.o dft_scatter.o dft_tstamp.o dft_pstrace.o get_col.o movecs_log.o nbf_to_mbf.o dft_frozemb.o dft_frozemb_fde.o int_1e_fde.o sca_lab_mat.o dft_utilmap.o dft_genutils.o dft_cholinv.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/util' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/util' Making all in grid make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/grid' Compiling grid_sic.F... Compiling grid_checks.F... Compiling grid_balance.F... grid_checks.F:66:72: 66 | iangquad=iag_old | ^ Warning: 'iag_old' may be used uninitialized [-Wmaybe-uninitialized] grid_checks.F:31:42: 31 | , k_iscr,l_iscr,k_rq,l_rq,iag_old | ^ note: 'iag_old' was declared here Compiling grid_rtrunc.F... grid_rtrunc.F:110:36: 108 | call ga_dgop(msg_igop_tru3,range_max,1,'max') | 2 109 | if(llind) then 110 | call ga_dgop(msg_igop_tru1,exex,ntypes,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_rtrunc.F:112:36: 108 | call ga_dgop(msg_igop_tru3,range_max,1,'max') | 2 ...... 112 | call ga_dgop(msg_igop_tru4,shiftm,ntypes,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_rtrunc.F:116:33: 108 | call ga_dgop(msg_igop_tru3,range_max,1,'max') | 2 ...... 116 | call ga_dgop(msg_igop_tru6,minexp,ncenters,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling grid_atom_type_info.F... Compiling grid_setquad.F... Compiling grid_setrad.F... grid_setrad.F:121:58: 46 | & tol_reset)) tol_reset = .true. | 2 ...... 121 | if (.not. rtdb_get(rtdb,'dft:braggmult', mt_dbl, 1, braggmult)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling grid_setang.F... Compiling grid_invariant.F... grid_invariant.F:235:19: 151 | call ycopy(9,0d0,0,qrot, 1) | 2 ...... 235 | call ycopy(9,qrot,1,qin,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) grid_invariant.F:107:22: 107 | call ycopy(9,qrot,1,c,1) | 1 ...... 151 | call ycopy(9,0d0,0,qrot, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling grid_list.F... grid_list.F:143:25: 143 | if (r.lt.r1) then | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] grid_list.F:32:28: 32 | double precision r, r1, r2, r3, | ^ note: 'r1' was declared here grid_list.F:145:41: 145 | elseif (r.ge.r1.and.r.lt.r2) then | ^ Warning: 'r2' may be used uninitialized [-Wmaybe-uninitialized] grid_list.F:32:32: 32 | double precision r, r1, r2, r3, | ^ note: 'r2' was declared here grid_list.F:149:41: 149 | elseif (r.ge.r2.and.r.lt.r3) then | ^ Warning: 'r3' may be used uninitialized [-Wmaybe-uninitialized] grid_list.F:32:36: 32 | double precision r, r1, r2, r3, | ^ note: 'r3' was declared here grid_list.F:151:41: 151 | elseif (r.ge.r3.and.r.lt.r4) then | ^ Warning: 'r4' may be used uninitialized [-Wmaybe-uninitialized] grid_list.F:33:25: 33 | & r4, RR, q1 | ^ note: 'r4' was declared here Compiling grid_setspac_params.F... Compiling grid_acc_def.F... grid_acc_def.F:305:57: 286 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 305 | if (.not. rtdb_get(rtdb, 'dft:ngridin', mt_int, 1, ngridin)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). grid_acc_def.F:567:56: 389 | & job_grid_acc)) | 2 ...... 567 | if (.not. rtdb_put(rtdb, 'dft:mxnrad', mt_int, 1, mxnrad)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling grid_memory.F... Compiling grid_update_rtdb.F... grid_update_rtdb.F:33:66: 27 | if (.not. rtdb_put(rtdb, 'dft:nagrid', mt_int, 1, nagrid)) | 2 ...... 33 | if (.not. rtdb_put(rtdb,'dft:nrad', mt_int, dft_ntags_bsmx, nrad)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_update_rtdb.F:36:66: 27 | if (.not. rtdb_put(rtdb, 'dft:nagrid', mt_int, 1, nagrid)) | 2 ...... 36 | if (.not. rtdb_put(rtdb,'dft:nang', mt_int, dft_ntags_bsmx, nang)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling grid_tasks.F... Compiling grid_gen_pts.F... Compiling grid_setspac.F... Compiling grid_neighb.F... Compiling grid_cleanup.F... Compiling grid_gaussq.F... Compiling grid_finpts.F... Compiling grid_init.F... grid_init.F:83:22: 30 | if (.not. rtdb_get(rtdb, 'dft:mxnrad', mt_int, 1, mxnrad)) | 2 ...... 83 | $ MT_LOG, 1, dosympts)) dosympts=oskel | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling grid_loop.F... Compiling grid_xcfit.F... Compiling dftg_loop.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/grid' Compiling grid_pscreen.F... Compiling grid_sphere.F... Compiling grid_ssw.F... Compiling grid_sswold.F... grid_sswold.F:91:72: 91 | radwgh=(1.d0-ass)*sqrt(distnn)*0.5d0 | ^ Warning: 'ass' may be used uninitialized [-Wmaybe-uninitialized] grid_sswold.F:36:26: 36 | double precision ass,distnc,distnn,wsum | ^ note: 'ass' was declared here Compiling grid_beckew.F... Compiling grid_signf.F... Compiling grid_quadvw.F... Compiling grid_quadvw1.F... Compiling grid_bucket.F... Compiling grid_utils.F... Compiling grid_sympts.F... grid_sympts.F:146:17: 146 | , log10((abs(wsum-1d0))), UNKNOWN_ERR) | 1 ...... 193 | ' ' grid_c5trash: mpush get failed',1, MA_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling grid_qpts.F... Compiling grid_quadv0.F... grid_quadv0.F:463:72: 463 | & dbl_mb(irdens_atom), nbf_xc_mxnbf_ce) | 1 Warning: More actual than formal arguments in procedure call at (1) grid_quadv0.F:617:51: 210 | & pname//'could not open grid file',0,DISK_ERR) | 2 ...... 617 | & call errquit(pname//'failed duplicate',g_vxc, GA_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_quadv0.F:779:60: 197 | if (.not.rtdb_get(rtdb,'dft:largenode', mt_log, 1, largenode)) | 2 ...... 779 | if (.not. rtdb_get(rtdb, 'dft:iAOacc', mt_int, 1, iAOacc))then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). grid_quadv0.F:911:47: 210 | & pname//'could not open grid file',0,DISK_ERR) | 2 ...... 911 | & call errquit(pname//'failed destroy',g_fde, GA_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling grid_quadv0a.F... grid_quadv0a.F:237:34: 237 | call ga_dgop(Msg_Excrho, StericEnergyTotal , 1, '+') ! sum energy over all nodes | 1 ...... 274 | call ga_dgop(2015, q_becke , ncenters, '+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling grid_quadv0b.F... grid_quadv0a.F:243:9: 243 | if(oprint_qbecke) then | ^ Warning: 'oprint_qbecke' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0a.F:63:27: 63 | logical oprint_qbecke | ^ note: 'oprint_qbecke' was declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'irdens_atom_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:126:29: 126 | integer irdens_atom_fde, lrdens_atom_fde | ^ note: 'irdens_atom_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'icetobfr_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:125:26: 125 | integer icetobfr_fde, lcetobfr_fde | ^ note: 'icetobfr_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'iamat2_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:131:36: 131 | integer lAmat2_fde, iAmat2_fde | ^ note: 'iamat2_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'iamat3_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:132:36: 132 | integer lAmat3_fde, iAmat3_fde | ^ note: 'iamat3_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'icmat2_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:134:36: 134 | integer lCmat2_fde, iCmat2_fde | ^ note: 'icmat2_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'icmat3_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:135:36: 135 | integer lCmat3_fde, iCmat3_fde | ^ note: 'icmat3_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'ixyz_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:149:22: 149 | integer ixyz_fde, lxyz_fde | ^ note: 'ixyz_fde' declared here grid_quadv0b.F:302:11: 289 | & iniz, docset, bas_cent_info, bas_cset_info) | 2 ...... 302 | & bas_cent_info_fde, bas_cset_info_fde) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). grid_quadv0b.F:302:30: 289 | & iniz, docset, bas_cent_info, bas_cset_info) | 2 ...... 302 | & bas_cent_info_fde, bas_cset_info_fde) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). grid_quadv0b.F:745:28: 720 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 745 | & .false.,0d0,0d0,0d0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:770:48: 711 | & 0d0,0d0,0d0,0d0, | 2 ...... 770 | E Dbl_MB(iEmat), Dbl_MB(iFmat), qxyz,xyz, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) grid_quadv0b.F:770:53: 711 | & 0d0,0d0,0d0,0d0, | 2 ...... 770 | E Dbl_MB(iEmat), Dbl_MB(iFmat), qxyz,xyz, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) grid_quadv0b.F:778:29: 720 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 778 | & .false.,0d0,0d0, dbl_mb(k_scr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:806:29: 720 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 806 | & .false.,0d0,0d0,0d0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:830:26: 720 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 830 | & .false.,0d0,0d0,0d0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling grid_quadvc.F... grid_quadv0b.F:467:72: 467 | & ttau_fde, kske, do_xdm) | ^ Warning: 'ilap_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0b.F:92:32: 92 | integer llap_fde, ilap_fde | ^ note: 'ilap_fde' was declared here Compiling grid_file.F... Compiling grid_eaf.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/grid' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/grid' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a grid_sic.o grid_checks.o grid_balance.o grid_rtrunc.o grid_atom_type_info.o grid_setquad.o grid_setrad.o grid_setang.o grid_invariant.o grid_list.o grid_setspac_params.o grid_acc_def.o grid_memory.o grid_update_rtdb.o grid_tasks.o grid_gen_pts.o grid_setspac.o grid_neighb.o grid_cleanup.o grid_gaussq.o grid_finpts.o grid_init.o grid_loop.o grid_xcfit.o dftg_loop.o grid_pscreen.o grid_sphere.o grid_ssw.o grid_sswold.o grid_beckew.o grid_signf.o grid_quadvw.o grid_quadvw1.o grid_bucket.o grid_utils.o grid_sympts.o grid_qpts.o grid_quadv0.o grid_quadv0a.o grid_quadv0b.o grid_quadvc.o grid_file.o grid_eaf.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/grid' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/grid' Making all in dftgrad make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/dftgrad' Compiling dft_grad_top.F... Compiling dftg_getxc.F... dftg_getxc.F:218:72: 218 | tol_rho = tol_rho_scf | ^ Warning: 'tol_rho_scf' may be used uninitialized [-Wmaybe-uninitialized] dftg_getxc.F:50:34: 50 | double precision tol_rho_scf ! store scf tol_rho before hack | ^ note: 'tol_rho_scf' was declared here Compiling dft_gradients.F... dft_gradients.F:544:52: 143 | if (.not.rtdb_get(rtdb,'dft:cgmin', mt_log, 1, cgmin)) | 2 ...... 544 | if (.not.rtdb_get(rtdb, 'dft:xdm', mt_int, 1, xdmdisp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dft_gradients.F:571:22: 550 | if (.not. rtdb_put(rtdb,'dft:xdmsave', mt_log, 1, .false.)) | 2 ...... 571 | $ lforce, dbl_mb(k_force))) call errquit | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_gradients.F:616:34: 614 | call intdd_init(rtdb,2,nmo) | 2 615 | else 616 | call intdd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_gradients.F:657:33: 655 | call intd_init(rtdb,2,nmo) | 2 656 | else 657 | call intd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling grad_dft.F... Compiling dftg_getcden.F... Compiling dftg_getxden.F... Compiling dftg_gridpart.F... Compiling dftg_gridv0a.F... dftg_gridv0a.F:147:56: 144 | if (.not. rtdb_get(rtdb, 'dft:lcdft', mt_log, 1, lcdft)) | 2 ...... 147 | if (.not. rtdb_get(rtdb, 'dft:ipop', mt_int, 1, ipop)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dftg_gridv0a.F:162:72: 162 | & call errquit('dft_gridv0a: get multipliers failed', 0) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling dftg_gridv0.F... dftg_gridv0.F:195:9: 177 | if (.not. rtdb_get(rtdb, 'dft:grad_nq', mt_int, 1, nqstep)) | 2 ...... 195 | & ldew))ldew=.true. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dftg_gridv0.F:33:28: 33 | . iga_dens, force, 0d0, 0, 1, natoms, | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-2 and scalar) dftg_gridv0.F:33:33: 33 | . iga_dens, force, 0d0, 0, 1, natoms, | 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-1 and scalar) Compiling dftg_gridv0b.F... dftg_gridv0b.F:332:22: 294 | & natoms, 1,1,1, | 2 ...... 332 | N natoms, curatoms, ncuratoms, 1, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dftg_gridv0b.F:574:14: 549 | & 0d0,0,3*ncuratoms, | 2 ...... 574 | & curatoms, ncuratoms, 1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dftg_griddo.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/dftgrad' Compiling dftg_cdfit.F... dftg_cdfit.F:31:43: 31 | & iga_dens, force, 0d0, 0, 0d0, | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-4 and scalar) dftg_cdfit.F:31:48: 31 | & iga_dens, force, 0d0, 0, 0d0, | 1 Warning: Rank mismatch in argument 'g_dj' at (1) (rank-2 and scalar) dftg_cdfit.F:31:51: 31 | & iga_dens, force, 0d0, 0, 0d0, | 1 Warning: Rank mismatch in argument 'db' at (1) (rank-3 and scalar) Compiling dftg_quadv0b.F... Compiling dftg_grad2.F... dftg_grad2.F:35:45: 35 | call dftg_grad2_gen(d_ija, d_kla, frc, hess, g_dj, g_dens, | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-4 and scalar) dftg_grad2.F:35:51: 35 | call dftg_grad2_gen(d_ija, d_kla, frc, hess, g_dj, g_dens, | 1 Warning: Rank mismatch in argument 'g_dj' at (1) (rank-2 and scalar) Compiling dint_block_j.F... Compiling j_nucder_gen.F... j_nucder_gen.F:21:55: 21 | call j_deriv_gen(g_dens, oactive, nactive, hess, 0, 2) | 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-2 and scalar) j_nucder_gen.F:38:49: 38 | call j_deriv_gen(g_dens, oactive, nactive, 0d0, g_rhs, 3) | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-1 and scalar) Compiling dftg_beckew.F... Compiling dftg_wderiv.F... Compiling dftg_gridssw.F... dftg_gridssw.F:163:34: 163 | double precision mu,mu1,dmu1,dmu2,dmu3,dmu1dmu | ^ Warning: 'dmu1' may be used uninitialized [-Wmaybe-uninitialized] dftg_gridssw.F:163:39: 163 | double precision mu,mu1,dmu1,dmu2,dmu3,dmu1dmu | ^ Warning: 'dmu2' may be used uninitialized [-Wmaybe-uninitialized] dftg_gridssw.F:291:72: 291 | dbmuba(3) = -(zi/rq(n,B) + mu*dmu3)*Rij(ij) | ^ Warning: 'dmu3' may be used uninitialized [-Wmaybe-uninitialized] dftg_gridssw.F:163:44: 163 | double precision mu,mu1,dmu1,dmu2,dmu3,dmu1dmu | ^ note: 'dmu3' was declared here Compiling dftg_gridsswold.F... Compiling dftg_signf.F... Compiling dftg_quadv0b_adft.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/dftgrad' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/dftgrad' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a dft_grad_top.o dftg_getxc.o dft_gradients.o grad_dft.o dftg_getcden.o dftg_getxden.o dftg_gridpart.o dftg_gridv0a.o dftg_gridv0.o dftg_gridv0b.o dftg_griddo.o dftg_cdfit.o dftg_quadv0b.o dftg_grad2.o dint_block_j.o j_nucder_gen.o dftg_beckew.o dftg_wderiv.o dftg_gridssw.o dftg_gridsswold.o dftg_signf.o dftg_quadv0b_adft.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/dftgrad' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/dftgrad' Making all in lr_tddft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/lr_tddft' Compiling tddft_energy.F... tddft_energy.F:163:54: 135 | if (.not. rtdb_get(rtdb, 'dft:rodft', mt_log, 1, rodft)) | 2 ...... 163 | if (.not.rtdb_get(rtdb,'tddft:ipolar',mt_int,1,ipolar)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_energy.F:308:56: 210 | if (.not. rtdb_put(rtdb,'cosmo_phase',mt_int,1,cosmo_phase)) | 2 ...... 308 | if (.not.rtdb_put(rtdb,'bgj:xc_active',mt_log,1,.true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling tddft_input.F... tddft_input.F:105:53: 99 | if (.not.rtdb_put(rtdb,'tddft:tda',mt_log,1,tda)) | 2 ...... 105 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_input.F:414:56: 170 | if (.not.rtdb_get(rtdb,'tddft:singlet',mt_log,1,singlet)) | 2 ...... 414 | if (.not.rtdb_get(rtdb,'tddft:owstart',mt_int,2,owstart)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_init.F... tddft_init.F:151:55: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 151 | if (.not.rtdb_get(rtdb,'dft:cam_omega',mt_dbl,1,cam_omega)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). tddft_init.F:200:56: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 200 | if (.not.rtdb_get(rtdb,'dft:lxfac',mt_log,numfunc,lxfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:202:57: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 202 | if (.not.rtdb_get(rtdb,'dft:nlxfac',mt_log,numfunc,nlxfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:204:56: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 204 | if (.not.rtdb_get(rtdb,'dft:lcfac',mt_log,numfunc,lcfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:206:57: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 206 | if (.not.rtdb_get(rtdb,'dft:nlcfac',mt_log,numfunc,nlcfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:208:57: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 208 | if (.not.rtdb_get(rtdb,'dft:xccomb',mt_log,numfunc,xccomb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:248:52: 238 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 2 ...... 248 | if (.not.rtdb_put(rtdb,'tddft:tda',mt_log,1,tda)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tddft_init.F:380:57: 238 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 2 ...... 380 | if (.not.rtdb_put(rtdb,'tddft:owstart',mt_int,2,owstart)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:382:55: 238 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 2 ...... 382 | if (.not.rtdb_put(rtdb,'tddft:owend',mt_int,2,owend)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_memory.F... Compiling tddft_iguess.F... tddft_iguess.F:172:64: 168 | status = rtdb_get(rtdb,'tddft:lsimpleso',mt_log,1,lsimpleso) | 2 ...... 172 | if(.not.rtdb_get(rtdb,'simpleso:evlso',mt_dbl,2*nbf_ao,evlso)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling tddft_dump.F... Compiling tddft_davidson.F... tddft_davidson.F:262:51: 254 | if (.not.rtdb_get(rtdb,'tddft:check',mt_log,1,lcheck)) | 2 ...... 262 | if (.not.rtdb_get(rtdb,'tddft:ecut',mt_dbl,1,ecut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling tddft_transfm.F... Compiling tddft_contract.F... Compiling tddft_epsilon.F... Compiling tddft_subspace.F... Compiling tddft_diagon.F... Compiling tddft_residual.F... Compiling tddft_analysis.F... tddft_analysis.F:240:46: 215 | if (.not.rtdb_get(rtdb,'tddft:do_s2',mt_log,1,do_s2)) | 2 ...... 240 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_analysis.F:1755:53: 1438 | + 1,osc_str)) then | 2 ...... 1755 | if (.not.rtdb_put(rtdb,'tddft:energy',mt_dbl,1,energy)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_analysis.F:1774:40: 1438 | + 1,osc_str)) then | 2 ...... 1774 | $ 'tddft:wgsrf_cosmo_vem',mt_dbl,1,wgsrf_cosmo_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_analysis.F:1782:40: 1438 | + 1,osc_str)) then | 2 ...... 1782 | $ 'tddft:wstar_cosmo_vem',mt_dbl,1,wstar_cosmo_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tddft_dftinit.F... Compiling tddft_finalize.F... tddft_analysis.F:1118:20: 1118 | if (lvelok) then | ^ Warning: 'lvelok' may be used uninitialized [-Wmaybe-uninitialized] tddft_analysis.F:149:20: 149 | logical lvelok ! check for division by zero in vel. gauge | ^ note: 'lvelok' was declared here Compiling tddft_schmidt.F... Compiling tddft_fold.F... Compiling tddft_bdtensor.F... Compiling tddft_patch.F... Compiling tddft_civecs_phase.F... Compiling tddft_oscstr.F... Compiling tddft_checkpoint.F... Compiling tddft_restart.F... tddft_restart.F:94:42: 75 | call ga_brdcst(Msg_Vec_NBF+MSGINT, ios, inntsize, 0) | 2 ...... 94 | call ga_brdcst(Msg_Vec_stat+MSGINT, nov_verify, 2*inntsize, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_s2.F... Compiling tddft_simpleso.F... Compiling tddft_lanczos.F... tddft_lanczos.F:144:10: 142 | 1 xc_active_save)) xc_active_save=.false. | 2 143 | if (.not.rtdb_get(rtdb,'fock_xc:calc_type',mt_int,1, 144 | 1 calc_type_save)) calc_type_save=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_lanczos.F:148:60: 145 | if (.not.rtdb_put(rtdb,'bgj:xc_active',mt_log,1,.true.)) | 2 ...... 148 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_lanczos_tda.F... tddft_lanczos_tda.F:144:10: 142 | 1 xc_active_save)) xc_active_save=.false. | 2 143 | if (.not.rtdb_get(rtdb,'fock_xc:calc_type',mt_int,1, 144 | 1 calc_type_save)) calc_type_save=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_lanczos_tda.F:148:60: 145 | if (.not.rtdb_put(rtdb,'bgj:xc_active',mt_log,1,.true.)) | 2 ...... 148 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_dipole.F... Compiling tddft_prod_v.F... tddft_prod_v.F:161:51: 159 | if (.not.rtdb_get(rtdb,'tddft:lecut',mt_log,1,lecut)) | 2 160 | & lecut = .false. 161 | if (.not.rtdb_get(rtdb,'tddft:ecut',mt_dbl,1,ecut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling tddft_basis.F... tddft_basis.F:105:29: 61 | call int_init(rtdb, 1, cd_bas_han) | 2 ...... 105 | call int_init(rtdb,2,(/ao_bas_han,cd_bas_han/)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/lr_tddft' Compiling tddft_fock_fit.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/lr_tddft' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/lr_tddft' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a tddft_energy.o tddft_input.o tddft_init.o tddft_memory.o tddft_iguess.o tddft_dump.o tddft_davidson.o tddft_transfm.o tddft_contract.o tddft_epsilon.o tddft_subspace.o tddft_diagon.o tddft_residual.o tddft_analysis.o tddft_dftinit.o tddft_finalize.o tddft_schmidt.o tddft_fold.o tddft_bdtensor.o tddft_patch.o tddft_civecs_phase.o tddft_oscstr.o tddft_checkpoint.o tddft_restart.o tddft_s2.o tddft_simpleso.o tddft_lanczos.o tddft_lanczos_tda.o tddft_dipole.o tddft_prod_v.o tddft_basis.o tddft_fock_fit.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/lr_tddft' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/lr_tddft' Making all in lr_tddft_grad make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/lr_tddft_grad' Compiling tddft_gradient.F... tddft_gradient.F:154:55: 143 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 154 | if (rtdb_get(rtdb,'tddft_grad:debug', mt_log, 1, odebug)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tddft_gradient.F:475:61: 206 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 475 | if (.not. rtdb_put(rtdb,'dft:converged', mt_log, 1, .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tddft_gradient.F:486:49: 143 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 486 | if(rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_grad_init.F... tddft_grad_init.F:179:56: 175 | if (.not.rtdb_get(rtdb,'dft:xfac',mt_dbl,numfunc,xfac)) | 2 ...... 179 | if (.not.rtdb_get(rtdb,'dft:lxfac',mt_log,numfunc,lxfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). tddft_grad_init.F:201:53: 175 | if (.not.rtdb_get(rtdb,'dft:xfac',mt_dbl,numfunc,xfac)) | 2 ...... 201 | if (.not.rtdb_get(rtdb,'dft:delta_ac',mt_dbl,1,shift)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_grad_init.F:412:24: 175 | if (.not.rtdb_get(rtdb,'dft:xfac',mt_dbl,numfunc,xfac)) | 2 ...... 412 | + solve_thresh)) solve_thresh=1.0d-4 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tddft_grad_input.F... tddft_grad_input.F:45:19: 37 | & iroot)) call errquit(pname//'failed to write iroot',0,RTDB_ERR) | 2 ...... 45 | & 1,solve_thresh)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tddft_grad_finalize.F... Compiling tddft_grad_print_info.F... Compiling tddft_grad_ints.F... Compiling tddft_grad_print_header.F... Compiling tddft_grad_e.F... Compiling tddft_grad_root_e.F... Compiling tddft_grad_mo.F... Compiling tddft_grad_xy.F... Compiling tddft_grad_load_mo.F... Compiling tddft_grad_load_xy.F... Compiling tddft_grad_tp.F... Compiling tddft_grad_compute_t.F... Compiling tddft_grad_r.F... Compiling tddft_grad_compute_r.F... tddft_grad_compute_r.F:644:60: 182 | if (.not.rtdb_put(rtdb,'fock_xc:triplet',mt_log,1,.false.)) | 2 ...... 644 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,5)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_grad_trans_mo2ao.F... tddft_grad_trans_mo2ao.F:196:72: 196 | ahi(1) = ir | ^ Warning: 'iroot' may be used uninitialized [-Wmaybe-uninitialized] tddft_grad_trans_mo2ao.F:98:19: 98 | integer iroot ! the first root to be transformed | ^ note: 'iroot' was declared here Compiling tddft_grad_trans_ao2mo.F... tddft_grad_trans_ao2mo.F:199:72: 199 | blo(1) = (ip-1)*nroot+ir | ^ Warning: 'iroot' may be used uninitialized [-Wmaybe-uninitialized] tddft_grad_trans_ao2mo.F:98:19: 98 | integer iroot ! the first root to be transformed | ^ note: 'iroot' was declared here Compiling tddft_grad_mat_to_vec.F... Compiling tddft_grad_solve.F... Compiling tddft_grad_epsilon.F... Compiling tddft_grad_solve_product.F... tddft_grad_solve_product.F:125:19: 91 | call ga_zero(g_x_3d_ao) | 2 ...... 125 | call ga_zero(g_Ax_3d_mo) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_grad_solve_precond.F... Compiling tddft_grad_compute_p.F... Compiling tddft_grad_compute_w.F... tddft_grad_compute_w.F:565:60: 473 | if (.not.rtdb_put(rtdb,'fock_xc:triplet',mt_log,1,.false.)) | 2 ...... 565 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,5)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_grad_g.F... Compiling tddft_grad_compute_dao.F... Compiling tddft_grad_get_dens.F... Compiling tddft_grad_compute_g.F... tddft_grad_compute_g.F:823:42: 621 | call tddft_grad_print_array(ipol,1,g_d,dble(ipol)) | 2 ...... 823 | call tddft_grad_print_array(1,1,g_wp_ao,dble(ipol)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_grad_compute_g.F:850:39: 587 | & g_d, dum, dum, g_rhs_xc, calc_type, | 2 ...... 850 | & dbl_mb(k_frc_df0), dum, idum, calc_type, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_grad_compute_g.F:932:47: 587 | & g_d, dum, dum, g_rhs_xc, calc_type, | 2 ...... 932 | & g_dtmp, dbl_mb(k_frc_dft), dum, idum, calc_type, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tddft_grad_grad_1e.F... Compiling tddft_grad_grad_2e.F... Compiling tddft_grad_make_2pdm.F... Compiling tddft_grad_print_result.F... Compiling tddft_grad_print_array.F... Compiling tddft_grad_compute_energy.F... Compiling tddft_grad_anti_symmetrize.F... Compiling tddft_grad_gxc.F... Compiling tddft_grad_irreg_acc.F... tddft_grad_irreg_acc.F:149:72: 149 | ld(2) = lenk | ^ Warning: 'lenk' may be used uninitialized [-Wmaybe-uninitialized] tddft_grad_irreg_acc.F:63:18: 63 | integer lenk ! the number of consequetive functions in the | ^ note: 'lenk' was declared here Compiling tddft_grad_fxc_l.F... Compiling tddft_grad_fix_exc.F... Compiling tddft_grad_store_gradient.F... Compiling tddft_grad_util_print.F... Compiling tddft_grad_solve_load_x.F... tddft_grad_solve_load_x.F:121:28: 106 | call ga_brdcst(1001,x_exists,ma_sizeof(MT_LOG,1,MT_BYTE),0) | 2 ...... 121 | call ga_brdcst(1002,itpol,ma_sizeof(MT_INT,1,MT_BYTE),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_grad_solve_save_x.F... Compiling tddft_grad_dxcdmat.F... Compiling tddft_grad_dfxc.F... Compiling tddft_grad_quadv0b.F... Compiling tddft_grad_dvxc.F... Compiling tddft_grad_mpole.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/lr_tddft_grad' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a tddft_gradient.o tddft_grad_init.o tddft_grad_input.o tddft_grad_finalize.o tddft_grad_print_info.o tddft_grad_ints.o tddft_grad_print_header.o tddft_grad_e.o tddft_grad_root_e.o tddft_grad_mo.o tddft_grad_xy.o tddft_grad_load_mo.o tddft_grad_load_xy.o tddft_grad_tp.o tddft_grad_compute_t.o tddft_grad_r.o tddft_grad_compute_r.o tddft_grad_trans_mo2ao.o tddft_grad_trans_ao2mo.o tddft_grad_mat_to_vec.o tddft_grad_solve.o tddft_grad_epsilon.o tddft_grad_solve_product.o tddft_grad_solve_precond.o tddft_grad_compute_p.o tddft_grad_compute_w.o tddft_grad_g.o tddft_grad_compute_dao.o tddft_grad_get_dens.o tddft_grad_compute_g.o tddft_grad_grad_1e.o tddft_grad_grad_2e.o tddft_grad_make_2pdm.o tddft_grad_print_result.o tddft_grad_print_array.o tddft_grad_compute_energy.o tddft_grad_anti_symmetrize.o tddft_grad_gxc.o tddft_grad_irreg_acc.o tddft_grad_fxc_l.o tddft_grad_fix_exc.o tddft_grad_irreg_acc.o tddft_grad_store_gradient.o tddft_grad_util_print.o tddft_grad_solve_load_x.o tddft_grad_solve_save_x.o tddft_grad_dxcdmat.o tddft_grad_dfxc.o tddft_grad_quadv0b.o tddft_grad_dvxc.o tddft_grad_mpole.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/lr_tddft_grad' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/lr_tddft_grad' Making all in zora make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/zora' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/zora' Compiling dft_zora_utils.F... Compiling dft_zora_utils_so.F... dft_zora_utils.F:281:32: 67 | status=rtdb_get(rtdb,'prop:efgfile',mt_int,1,efgfile) ! for NLMO analysis | 2 ...... 281 | & mt_log,1,skip_csAOev)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_zora_utils.F:213:72: 213 | scale_MO=scf_dbl | ^ Warning: 'scf_dbl' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_utils.F:44:50: 44 | double precision eval_scal,ener_scal,scf_dbl | ^ note: 'scf_dbl' was declared here Compiling dft_zora_rhos.F... dft_zora_utils_so.F:284:29: 283 | call ga_dgop(20166102, evals, noc, '+') | 2 284 | call ga_dgop(20166103, ener_scal, 1, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dft_zora_rhos_so.F... dft_zora_rhos_so.F:746:15: 738 | if (.not.rtdb_get(rtdb,'cosmo:nefc',mt_int,1,nefc)) | 2 ...... 746 | & dbl_mb(k_efcc))) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_zora_rhos_so.F:851:49: 849 | call ecce_print1('EFG eigenvalues',MT_DBL,eig,3) | 2 850 | call ecce_print2('EFG eigenvectors',MT_DBL,vec,3,3,3) 851 | call ecce_print1('EFG asymmetry',MT_DBL,eta,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling gridNuclearPotential.F... dft_zora_rhos.F:560:41: 560 | call ga_put(g_AtNr,1,1,ii,ii,AtNr_dbl,1) | 1 ...... 618 | call ga_put(g_munu_rhoS,1,1,jlo,jhi,v,1) ! v --> g_munu_rhoS | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_zora_rhos.F:564:38: 553 | $ 1,efgz4atoms)) | 2 ...... 564 | $ efgz4atoms,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_zora_rhos.F:570:41: 570 | call ga_put(g_AtNr,1,1,ii,ii,AtNr_dbl,1) | 1 ...... 618 | call ga_put(g_munu_rhoS,1,1,jlo,jhi,v,1) ! v --> g_munu_rhoS | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_zora_rhos.F:368:19: 368 | call ga_zero(g_orbi) | 1 ...... 492 | call ga_zero(g_densZ4(ispin)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(8)). dft_zora_rhos.F:369:18: 369 | call ga_put(g_orbi,1,nbf,iorb,iorb, | 1 ...... 618 | call ga_put(g_munu_rhoS,1,1,jlo,jhi,v,1) ! v --> g_munu_rhoS | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(8)). dft_zora_rhos.F:373:27: 317 | & g_orb,g_orb,0.d00,g_dens_sf) | 2 ...... 373 | & g_orbj,g_orbi,0.d00,g_dens_sf) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(8)). dft_zora_rhos.F:376:27: 376 | if (.not. ga_destroy(g_orbi)) call errquit( | 1 ...... 514 | if (.not. ga_destroy(g_dens_sf)) call errquit( | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(8)). Compiling gridHartreePotential.F... dft_zora_rhos.F:487:15: 487 | if (.not.ma_alloc_get(mt_dbl,ipol*noc1,'Ci',l_Ci,k_Ci)) | ^ Warning: 'ipol' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_rhos.F:453:24: 453 | integer ispin,ipol,iorb,porb,nbf | ^ note: 'ipol' declared here dft_zora_rhos.F:487:15: 487 | if (.not.ma_alloc_get(mt_dbl,ipol*noc1,'Ci',l_Ci,k_Ci)) | ^ Warning: 'noc1' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_rhos.F:458:18: 458 | integer noc1 ! Total # of occupied MOs | ^ note: 'noc1' declared here dft_zora_rhos_so.F:431:19: 431 | integer i_cbq | ^ Warning: 'i_cbq' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_rhos_so.F:432:19: 432 | integer i_qbq | ^ Warning: 'i_qbq' may be used uninitialized [-Wmaybe-uninitialized] Compiling gridQpqPotential.F... Compiling grid_moments.F... Compiling zora_getv_EFGZ4_SR.F... Compiling calc_zora_EFGZ4_SR.F... Compiling zora_getv_EFGZ4_SO.F... Compiling calc_zora_EFGZ4_SO.F... Compiling dft_zora_NMR.F... Compiling zora_getv_NMRCS_SR.F... dft_zora_NMR.F:1086:37: 265 | status=rtdb_get(rtdb,'prop:shldfile',mt_int,1,shldfile) ! for NLMO analysis | 2 ...... 1086 | $ giaoatoms,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_zora_NMR.F:66:32: 66 | & mt_log,1,do_prntNMRCS)) ! FA | 1 ...... 265 | status=rtdb_get(rtdb,'prop:shldfile',mt_int,1,shldfile) ! for NLMO analysis | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling calc_zora_NMRCS_SR.F... Compiling dft_zora_EPR.F... Compiling dft_zora_EPR-NMR_tools.F... dft_zora_EPR.F:47:32: 47 | & mt_log,1,do_prntNMRCS)) ! FA | 1 ...... 424 | status=rtdb_get(rtdb,'prop:gshiftfile',mt_int,1,gshiftfile) ! for NLMO analysis | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling zora_getv_EPR.F... dft_zora_EPR.F:376:72: 376 | factor=(-0.25d0)*coeffpol*ppt | ^ Warning: 'coeffpol' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_EPR.F:339:39: 339 | double precision toac(2),coeffpol,toscale | ^ note: 'coeffpol' was declared here Compiling calc_zora_EPR.F... Compiling dft_zora_Hyperfine.F... dft_zora_EPR-NMR_tools.F:1572:37: 294 | call ga_get(g_AtNr1,1,1,1,nlist,dbl_mb(k_AtNr),1) | 2 ...... 1572 | call ga_get(g_z1,1,n1,m1,m1,dcpl_mb(k_z),n1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). dft_zora_EPR-NMR_tools.F:1777:48: 530 | call ga_put(g_AtNr1,1,1,1,nlist,dbl_mb(k_AtNr),1) | 2 ...... 1777 | call ga_put(g_z1,idat,idat,ivec,ivec,val_cmplx,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling zora_getv_HFine.F... Compiling calc_zora_HFine.F... dft_zora_Hyperfine.F:1515:38: 1504 | $ 1,hfineatoms)) | 2 ...... 1515 | $ hfineatoms,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_zora_Hyperfine.F:48:32: 48 | & mt_log,1,do_prntNMRCS)) ! FA | 1 ...... 1504 | $ 1,hfineatoms)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling zora_getv_sf.F... dft_zora_Hyperfine.F:814:72: 814 | & nexc) | ^ Warning: 'k_zetanuc' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_Hyperfine.F:782:33: 782 | integer l_zetanuc,k_zetanuc | ^ note: 'k_zetanuc' declared here zora_getv_sf.F:293:72: 293 | g_dens(1)=g_dens0(1) | ^ Warning: 'g_dens0[0]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_sf.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[0]' was declared here zora_getv_sf.F:294:72: 294 | if(ipol.eq.2) g_dens(2)=g_dens0(2) | ^ Warning: 'g_dens0[1]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_sf.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[1]' was declared here Compiling zora_getv_so.F... Compiling calc_EFG.F... zora_getv_so.F:282:72: 282 | g_dens(1)=g_dens0(1) | ^ Warning: 'g_dens0[0]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_so.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[0]' was declared here zora_getv_so.F:283:72: 283 | if(ipol.eq.2) g_dens(2)=g_dens0(2) | ^ Warning: 'g_dens0[1]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_so.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[1]' was declared here Compiling calc_zora_sf.F... Compiling calc_zora_so.F... Compiling calc_zora_facs.F... Compiling get_ints_zora.F... Compiling zora_recalc.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/zora' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/zora' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a dft_zora_utils.o dft_zora_utils_so.o dft_zora_rhos.o dft_zora_rhos_so.o gridNuclearPotential.o gridHartreePotential.o gridQpqPotential.o grid_moments.o zora_getv_EFGZ4_SR.o calc_zora_EFGZ4_SR.o zora_getv_EFGZ4_SO.o calc_zora_EFGZ4_SO.o dft_zora_NMR.o zora_getv_NMRCS_SR.o calc_zora_NMRCS_SR.o dft_zora_EPR.o dft_zora_EPR-NMR_tools.o zora_getv_EPR.o calc_zora_EPR.o dft_zora_Hyperfine.o zora_getv_HFine.o calc_zora_HFine.o zora_getv_sf.o zora_getv_so.o calc_EFG.o calc_zora_sf.o calc_zora_so.o calc_zora_facs.o get_ints_zora.o zora_recalc.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/zora' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/zora' Making all in spec make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/spec' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/spec' Compiling dft_vspec.F... dft_vspec.F:108:57: 75 | if (.not. rtdb_get(rtdb,'dft:write_vspec',mt_log,1,write_vspec)) | 2 ...... 108 | if (.not. rtdb_get(rtdb,'dft:nexcite_win',mt_int,1,nexcite_win)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dft_vspec_so.F... Compiling dft_xps.F... Compiling dft_polfromsos.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/spec' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/spec' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a dft_vspec.o dft_vspec_so.o dft_xps.o dft_polfromsos.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/spec' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/spec' Making all in rt_tddft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft' Compiling rt_tddft.F... rt_tddft.F:60:9: 56 | & cam_exch)) cam_exch=.false. | 2 ...... 60 | & cam_omega)) cam_omega=0.d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Making all in matutils make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/matutils' Compiling convert_d2z.F... Compiling convert_z2d.F... Compiling pack_buffer2ga.F... pack_buffer2ga.F:138:39: 60 | call ga_put (g_a, 1, n, i, i, dbl_mb(itmp), n) | 2 ...... 138 | call ga_put (g_a, 1, n, i, i, dcpl_mb(itmp), n) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pack_ga2buffer.F... pack_ga2buffer.F:133:39: 57 | call ga_get (g_a, 1, n, i, i, dbl_mb(itmp), n) | 2 ...... 133 | call ga_get (g_a, 1, n, i, i, dcpl_mb(itmp), n) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling matutils.F... Compiling dmat_io.F... matutils.F:458:72: 458 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:489:42: 473 | call ga_put (g_a, i,i,i,i, one, 1) | 2 ...... 489 | call ga_put (g_a, i,i,i,i, zone, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). matutils.F:499:72: 499 | call errquit (pname//"unsupported data type") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:399:72: 399 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:339:72: 339 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:66:72: 66 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:196:72: 196 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:542:72: 542 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:920:72: 920 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) dmat_io.F:52:72: 52 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dmat_io.F:154:72: 154 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_diag.F... Compiling zmat_inv.F... zmat_diag.F:591:72: 591 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_diag.F:451:72: 451 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_diag.F:66:72: 66 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_diag.F:701:72: 701 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_inv.F:240:72: 240 | $ call errquit (pname//"size of ainv must match size of a") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_inv.F:62:72: 62 | $ call errquit (pname//"size of ainv must match size of a") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_checksum.F... zmat_checksum.F:44:72: 44 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_spectral_range.F... zmat_spectral_range.F:55:72: 55 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_max_abs_elem.F... zmat_max_abs_elem.F:47:72: 47 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_compare.F... Compiling elem_compare.F... Compiling calc_array_partitioning.F... make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/matutils' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a convert_d2z.o convert_z2d.o pack_buffer2ga.o pack_ga2buffer.o matutils.o dmat_io.o zmat_diag.o zmat_inv.o zmat_checksum.o zmat_spectral_range.o zmat_max_abs_elem.o zmat_compare.o elem_compare.o calc_array_partitioning.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/matutils' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/matutils' Making all in rtutils make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/rtutils' Compiling rt_tddft_debug.F... Compiling rt_tddft_header.F... Compiling rt_tddft_output.F... Compiling rt_tddft_calc.F... rt_tddft_output.F:427:72: 427 | call rt_tddft_print_val (params, tt, params%Enuc, "Enuc") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:428:72: 428 | call rt_tddft_print_val (params, tt, energies%core, "Ecore") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:429:72: 429 | call rt_tddft_print_val (params, tt, energies%coul, "Ecoul") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:430:72: 430 | call rt_tddft_print_val (params, tt, energies%xc(1), "Exc(1)") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:431:72: 431 | call rt_tddft_print_val (params, tt, energies%xc(2), "Exc(2)") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:432:72: 432 | call rt_tddft_print_val (params, tt, energies%tot, "Etot") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:434:72: 434 | $ energies%tot - energies%gs, "Eadded") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:467:72: 467 | call rt_tddft_print_msg (params, tt, "No applied E-field") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:477:72: 477 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:477:72: 477 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'vec' at (1); passed TYPE(rt_vector_t) to TYPE(rt_vector_t) rt_tddft_output.F:483:72: 483 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:483:72: 483 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'vec' at (1); passed TYPE(rt_vector_t) to TYPE(rt_vector_t) rt_tddft_output.F:650:72: 650 | $ charge_tot, trim(outstr)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_movecs_gs.F... rt_tddft_calc.F:363:31: 171 | call rt_tddft_geom_mask (params, params%g_dip%x, ig, g_dip_maskd) | 2 ...... 363 | call rt_tddft_geom_mask (params, g_dscr1, ig, g_dscr2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (TYPE(rt_params_t)/TYPE(rt_params_t)). Compiling rt_tddft_movecs_import.F... Compiling rt_tddft_moocc.F... rt_tddft_movecs_import.F:330:72: 330 | call rt_tddft_movecs_fname (params, rt_movecs_fname) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:363:72: 363 | $ mo_nsets, mo_ns_mo) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:386:72: 386 | $ dbl_mb(iocc), dbl_mb(ievals)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:576:72: 576 | call rt_tddft_movecs_fname (params, rt_movecs_fname) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:642:72: 642 | $ dbl_mb(iocc), dbl_mb(ievals)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:661:72: 661 | $ dbl_mb(iocc), dbl_mb(ievals)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_atpoint.F... Compiling rt_tddft_snapshot.F... rt_tddft_snapshot.F:205:72: 205 | call rt_tddft_snapshot_fname (params, it, tt, fname_tail) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:276:20: 276 | itreference = rt_tddft_find_itreference (params) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:287:72: 287 | $ params%viz_treference, fname_tail) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:314:13: 314 | if (rt_tddft_at_snap (params, tt)) then | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:328:72: 328 | call rt_tddft_snapshot_fname (params, it, tt, fname_tail) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:332:72: 332 | $ fname_tail_cube) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_geom_mask.F... rt_tddft_geom_mask.F:46:72: 46 | $ call errquit (pname//"g_full must be dbl or dcpl",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:61:72: 61 | $ call errquit (pname//"g_maskd must be dbl or dcpl",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:69:72: 69 | $ 0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:73:72: 73 | $ 0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:81:72: 81 | $ call errquit (pname//"bad ig: ", ig, 0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:99:72: 99 | $ call errquit (pname//"failed to create fullre",0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:103:72: 103 | $ call errquit (pname//"failed to create fullim",0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:116:72: 116 | $ call errquit (pname//"failed to destroy fullre", 0,GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:119:72: 119 | $ call errquit (pname//"failed to destroy fullim", 0,GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:122:72: 122 | call errquit (pname//"bad data type for g_full",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling rt_tddft_estimate_rem.F... Compiling rt_tddft_vec_quad.F... Compiling rt_tddft_excite.F... rt_tddft_excite.F:376:47: 376 | val = val * rt_tddft_hann_window (field, tt) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_excite.F:378:51: 378 | val = val * rt_tddft_gaussian_window (field, tt) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_excite.F:380:51: 380 | val = val * rt_tddft_sin2ramp_window (field, tt) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_excite.F:80:72: 80 | call rt_tddft_update_fields (params, tt) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_excite.F:94:33: 94 | call rt_tddft_vec_zero (params%geom(igeom)%vec(1)) !alpha | 1 ...... 412 | call rt_tddft_vec_zero (fvec) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (TYPE(rt_vector_t)/TYPE(rt_vector_t)). Compiling rt_tddft_checkpoint.F... Compiling rt_tddft_zora_scale.F... Compiling rt_tddft_project.F... Compiling rt_tddft_zdens_tot_movecs.F... rt_tddft_project.F:221:72: 221 | call rt_tddft_project (params, "F", g_za, g_zb, g_zaproj, lherm) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_project.F:223:72: 223 | $ g_zaproj, g_zb, g_zaback, lherm) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_project.F:368:72: 368 | $ g_za, g_movecs_gs, g_zaproj) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_project.F:370:72: 370 | $ g_zaproj, g_movecs_gs, g_zaback) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_restart.F... rt_tddft_restart.F:240:29: 237 | call ga_brdcst(100001, it_in, msglen, 0) | 2 ...... 240 | call ga_brdcst(100002, tt_in, msglen, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). rt_tddft_restart.F:284:31: 101 | call rt_tddft_print_msg (params, tt, "Saved restart file") | 2 ...... 284 | call rt_tddft_print_msg (params, tt, "Loaded restart file") | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (TYPE(rt_params_t)/TYPE(rt_params_t)). Compiling rt_tddft_mocap.F... Compiling rt_tddft_calc_dip_contribs.F... rt_tddft_calc_dip_contribs.F:207:25: 183 | $ (1d0,0d0), params%g_zX, g_zCprime, (0d0,0d0), g_zCao) | 2 ...... 207 | $ g_zPgsint(1), 0d0, g_zPgsmo(1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling rt_tddft_spatialcap.F... Compiling rt_tddft_spatial_potential.F... Compiling rt_tddft_complex_evals.F... rt_tddft_spatial_potential.F:111:22: 107 | $ mt_dbl, 1, cap_gammamax)) call errquit (pname// | 2 ...... 111 | $ mt_int, 3, nq)) call errquit (pname// | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). rt_tddft_spatial_potential.F:115:22: 107 | $ mt_dbl, 1, cap_gammamax)) call errquit (pname// | 2 ...... 115 | $ mt_dbl, 3, qmin_au)) call errquit (pname// | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rt_tddft_spatial_potential.F:119:22: 107 | $ mt_dbl, 1, cap_gammamax)) call errquit (pname// | 2 ...... 119 | $ mt_dbl, 3, qmax_au)) call errquit (pname// | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rt_tddft_complex_evals.F:246:29: 242 | call ga_brdcst(100001, diff, msglen, 0) | 2 ...... 246 | call ga_brdcst(100002, imax, msglen, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/rtutils' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a rt_tddft_debug.o rt_tddft_header.o rt_tddft_output.o rt_tddft_calc.o rt_tddft_movecs_gs.o rt_tddft_movecs_import.o rt_tddft_moocc.o rt_tddft_atpoint.o rt_tddft_snapshot.o rt_tddft_geom_mask.o rt_tddft_estimate_rem.o rt_tddft_vec_quad.o rt_tddft_excite.o rt_tddft_checkpoint.o rt_tddft_zora_scale.o rt_tddft_project.o rt_tddft_zdens_tot_movecs.o rt_tddft_restart.o rt_tddft_mocap.o rt_tddft_calc_dip_contribs.o rt_tddft_spatialcap.o rt_tddft_spatial_potential.o rt_tddft_complex_evals.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/rtutils' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/rtutils' Making all in input make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/input' Compiling rt_tddft_input_put_defaults.F... rt_tddft_input_put_defaults.F:110:20: 63 | $ mt_log,1,.true.)) | 2 ...... 110 | $ mt_dbl,1,tol_zero)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling rt_tddft_input_field.F... rt_tddft_input_field.F:218:72: 218 | call rt_tddft_field_rtdb_get (rtdb, i, prev_field) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_input_field.F:467:72: 467 | call rt_tddft_field_rtdb_put (rtdb, nfields, this_field) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) Compiling rt_tddft_input_print.F... Compiling rt_tddft_input_excite.F... rt_tddft_input_excite.F:223:72: 223 | call rt_tddft_excite_rtdb_put (rtdb, nexcites, excite) | 1 Warning: Type mismatch in argument 'excite' at (1); passed TYPE(rt_excite_t) to TYPE(rt_excite_t) Compiling rt_tddft_input_tolerances.F... Compiling rt_tddft_input_visualization.F... rt_tddft_input_visualization.F:131:59: 119 | if (.not.rtdb_put(rtdb,'rt_tddft:viz_tstart',mt_dbl,1,tstart)) | 2 ...... 131 | if (.not.rtdb_put(rtdb,'rt_tddft:viz_subgs',mt_log,1,lsubgs)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling rt_tddft_input_mocap.F... rt_tddft_input_mocap.F:120:61: 103 | if (.not.rtdb_put(rtdb,'rt_tddft:mocap_maxval',mt_dbl,1,maxval)) | 2 ...... 120 | if (.not.rtdb_put(rtdb,'rt_tddft:mocap_print',mt_log,1,lprint)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling rt_tddft_input_spatialcap.F... rt_tddft_input_spatialcap.F:227:60: 165 | if (.not. rtdb_put (rtdb, trim(tag),mt_dbl,1,rstart)) | 2 ...... 227 | if (.not.rtdb_put(rtdb,'rt_tddft:cap_active',mt_log,1,lactive)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). rt_tddft_input_spatialcap.F:235:58: 165 | if (.not. rtdb_put (rtdb, trim(tag),mt_dbl,1,rstart)) | 2 ...... 235 | if (.not.rtdb_put(rtdb,'rt_tddft:cap_qmin',mt_dbl,3,qmin)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rt_tddft_input_spatialcap.F:239:58: 165 | if (.not. rtdb_put (rtdb, trim(tag),mt_dbl,1,rstart)) | 2 ...... 239 | if (.not.rtdb_put(rtdb,'rt_tddft:cap_qmax',mt_dbl,3,qmax)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rt_tddft_input_spatialcap.F:162:72: 162 | rend = rend * posconv | ^ Warning: 'posconv' may be used uninitialized [-Wmaybe-uninitialized] rt_tddft_input_spatialcap.F:37:33: 37 | double precision :: posconv | ^ note: 'posconv' was declared here Compiling rt_tddft_input.F... rt_tddft_input.F:136:22: 65 | $ mt_int,1,nfields)) | 2 ...... 136 | $ 1,use_dmat)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). rt_tddft_input.F:373:72: 373 | call errquit (pname//"invalid propagator: "//method) | 1 Warning: Missing actual argument for argument '_formal_6' at (1) rt_tddft_input.F:400:72: 400 | call errquit (pname//"BCH exp disabled"//method) | 1 Warning: Missing actual argument for argument '_formal_6' at (1) rt_tddft_input.F:404:72: 404 | $ "invalid exponentiation method: "//method) | 1 Warning: Missing actual argument for argument '_formal_6' at (1) make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/input' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a rt_tddft_input_put_defaults.o rt_tddft_input_field.o rt_tddft_input_print.o rt_tddft_input_excite.o rt_tddft_input_tolerances.o rt_tddft_input_visualization.o rt_tddft_input_mocap.o rt_tddft_input_spatialcap.o rt_tddft_input.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/input' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/input' Making all in init make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/init' Compiling rt_tddft_init_coulcdfit.F... rt_tddft_init_coulcdfit.F:217:72: 217 | params%iwhat_max = iwhat_max | ^ Warning: 'iwhat_max' is used uninitialized [-Wuninitialized] rt_tddft_init_coulcdfit.F:39:23: 39 | integer iwhat_max | ^ note: 'iwhat_max' was declared here rt_tddft_init_coulcdfit.F:218:72: 218 | params%n_semi_bufs = n_semi_bufs | ^ Warning: 'n_semi_bufs' is used uninitialized [-Wuninitialized] rt_tddft_init_coulcdfit.F:38:43: 38 | integer n3c_int, n3c_dbl, n_semi_bufs | ^ note: 'n_semi_bufs' was declared here rt_tddft_init_coulcdfit.F:219:72: 219 | params%fd = fd | ^ Warning: 'fd' is used uninitialized [-Wuninitialized] rt_tddft_init_coulcdfit.F:44:16: 44 | integer fd | ^ note: 'fd' was declared here Compiling rt_tddft_init_zora.F... Compiling rt_tddft_init_dip_quad_ints.F... Compiling rt_tddft_init_fock2e.F... Compiling rt_tddft_init_geoms.F... Compiling rt_tddft_init_rtdb.F... rt_tddft_init_rtdb.F:38:22: 26 | $ mt_dbl, 1, params%dt)) call errquit (pname// | 2 ...... 38 | $ mt_int, 1, params%nchecks)) call errquit (pname// | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling rt_tddft_init_check_params.F... rt_tddft_init_check_params.F:41:72: 41 | call rt_tddft_init_check_fields (params) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_init_overlap_canorg.F... Compiling rt_tddft_init_common.F... rt_tddft_init_common.F:79:22: 66 | $ mt_dbl, 1, local_d_conv)) then | 2 ...... 79 | $ mt_log, 1, dft_converged)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling rt_tddft_clean.F... Compiling task_rt_tddft.F... make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/init' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a rt_tddft_init_coulcdfit.o rt_tddft_init_zora.o rt_tddft_init_dip_quad_ints.o rt_tddft_init_fock2e.o rt_tddft_init_geoms.o rt_tddft_init_rtdb.o rt_tddft_init_check_params.o rt_tddft_init_overlap_canorg.o rt_tddft_init_common.o rt_tddft_clean.o task_rt_tddft.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/init' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/init' Making all in canorg make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/canorg' Compiling canorg_check.F... Compiling canorg_init.F... Compiling canorg_clean.F... Compiling canorg_trans.F... canorg_trans.F:108:72: 108 | call canorg_trans_zfock_ao2mo (params, g_zs_nm, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) canorg_trans.F:110:72: 110 | call canorg_trans_zdens_ao2mo (params, g_zs_nm, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) canorg_trans.F:127:72: 127 | call canorg_trans_zfock_mo2ao (params, g_zs_mn, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) canorg_trans.F:129:72: 129 | call canorg_trans_zdens_mo2ao (params, g_zs_mn, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/canorg' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a canorg_check.o canorg_init.o canorg_clean.o canorg_trans.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/canorg' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/canorg' Making all in propagators make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/propagators' Compiling exp_diag.F... exp_diag.F:66:72: 66 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_8' at (1) Compiling exp_pseries.F... exp_pseries.F:81:72: 81 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_8' at (1) Compiling prop_euler.F... Compiling prop_magnus_exp_bch.F... Compiling prop_magnus_exp_bch_scaled.F... Compiling prop_magnus_ord2_interpol.F... Compiling prop_magnus_ord2_step.F... Compiling prop_rk4.F... make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/propagators' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a exp_diag.o exp_pseries.o prop_euler.o prop_magnus_exp_bch.o prop_magnus_exp_bch_scaled.o prop_magnus_ord2_interpol.o prop_magnus_ord2_step.o prop_rk4.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/propagators' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/propagators' Making all in closedshell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/closedshell' Compiling zfock_cs_build.F... Compiling zfock_cs_core.F... Compiling zfock_cs_core_scalarzora.F... Compiling zfock_cs_coulcdfit.F... Compiling zfock_cs_coul_exchre.F... Compiling zfock_cs_coul.F... Compiling zfock_cs_dftxc.F... Compiling zfock_cs_exch.F... Compiling zfock_cs_exchim.F... Compiling rt_tddft_cs_init.F... Compiling rt_tddft_cs_confirm.F... Compiling rt_tddft_cs_checkpoint.F... Compiling rt_tddft_cs_restart.F... rt_tddft_cs_restart.F:54:67: 50 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_it', mt_int, 1, it)) | 2 ...... 54 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_tt', mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). rt_tddft_cs_restart.F:164:67: 161 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_it",mt_int, 1, it)) | 2 ...... 164 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_tt",mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling rt_tddft_cs_prop.F... Compiling rt_tddft_cs_tdfock.F... make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/closedshell' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a zfock_cs_build.o zfock_cs_core.o zfock_cs_core_scalarzora.o zfock_cs_coulcdfit.o zfock_cs_coul_exchre.o zfock_cs_coul.o zfock_cs_dftxc.o zfock_cs_exch.o zfock_cs_exchim.o rt_tddft_cs_init.o rt_tddft_cs_confirm.o rt_tddft_cs_checkpoint.o rt_tddft_cs_restart.o rt_tddft_cs_prop.o rt_tddft_cs_tdfock.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/closedshell' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/closedshell' Making all in openshell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/openshell' Compiling zfock_os_build.F... Compiling zfock_os_core.F... Compiling zfock_os_core_scalarzora.F... Compiling zfock_os_coul.F... Compiling zfock_os_coulcdfit.F... Compiling zfock_os_exch.F... Compiling zfock_os_dftxc.F... Compiling rt_tddft_os_init.F... Compiling rt_tddft_os_confirm.F... Compiling rt_tddft_os_prop.F... Compiling rt_tddft_os_tdfock.F... Compiling rt_tddft_os_checkpoint.F... Compiling rt_tddft_os_print.F... Compiling rt_tddft_os_restart.F... rt_tddft_os_restart.F:56:67: 52 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_it', mt_int, 1, it)) | 2 ...... 56 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_tt', mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). rt_tddft_os_restart.F:191:67: 188 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_it",mt_int, 1, it)) | 2 ...... 191 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_tt",mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/openshell' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a zfock_os_build.o zfock_os_core.o zfock_os_core_scalarzora.o zfock_os_coul.o zfock_os_coulcdfit.o zfock_os_exch.o zfock_os_dftxc.o rt_tddft_os_init.o rt_tddft_os_confirm.o rt_tddft_os_prop.o rt_tddft_os_tdfock.o rt_tddft_os_checkpoint.o rt_tddft_os_print.o rt_tddft_os_restart.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/openshell' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/openshell' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a rt_tddft.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft' Making all in libxc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/libxc' Compiling nwchem_libxc_read.F... Compiling nwchem_libxc_util.F... nwchem_libxc_util.F:173:10: 149 | $ libxc_nfuncs)) | 2 ...... 173 | $ libxc_facts)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). nwchem_libxc_util.F:215:10: 191 | $ libxc_nfuncs)) | 2 ...... 215 | $ libxc_facts)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/libxc' Compiling nwchem_libxc_compute.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/libxc' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/libxc' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a nwchem_libxc_read.o nwchem_libxc_util.o nwchem_libxc_compute.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/libxc' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/libxc' Making all in x2c make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/x2c' Compiling calc_x2c_w_scalar.F... Compiling x2c_getw_scalar.F... Compiling x2c_getw_efg_scalar.F... Compiling x2c_getw_moment_scalar.F... Compiling calc_x2c_1e_scalar_ga.F... calc_x2c_1e_scalar_ga.F:688:13: 688 | info = ga_cholesky('L', g_m, -1) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling calc_x2c_efg_scalar.F... calc_x2c_efg_scalar.F:480:23: 176 | call ga_zero(g_efgint) | 2 ...... 480 | call ga_zero(g_P) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) calc_x2c_efg_scalar.F:510:12: 392 | & g_temp,clo,chi) | 2 ...... 510 | & g_P,clo,chi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) calc_x2c_efg_scalar.F:522:12: 392 | & g_temp,clo,chi) | 2 ...... 522 | & g_P,clo,chi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) calc_x2c_efg_scalar.F:546:13: 391 | & g_efg, blo,bhi, | 2 ...... 546 | & g_P,blo,bhi, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) calc_x2c_efg_scalar.F:576:29: 221 | if (.not. ga_destroy(g_temp)) call errquit | 2 ...... 576 | if (.not. ga_destroy(g_P)) call errquit | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling calc_x2c_moment_scalar.F... Compiling calc_x2c_wefg_scalar.F... Compiling calc_x2c_wmoment_scalar.F... Compiling calc_x2c_hfc_scalar.F... calc_x2c_hfc_scalar.F:227:72: 227 | & pname//': g_u2c inconsistency', UNKNOWN_ERR) | 1 Warning: Missing actual argument for argument '_formal_13' at (1) Compiling write_x2c_pc_dip.F... Compiling read_x2c_pc_dip.F... Compiling x2c_scf.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/x2c' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a calc_x2c_w_scalar.o x2c_getw_scalar.o x2c_getw_efg_scalar.o x2c_getw_moment_scalar.o calc_x2c_1e_scalar_ga.o calc_x2c_efg_scalar.o calc_x2c_moment_scalar.o calc_x2c_wefg_scalar.o calc_x2c_wmoment_scalar.o calc_x2c_hfc_scalar.o write_x2c_pc_dip.o read_x2c_pc_dip.o x2c_scf.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/x2c' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/x2c' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a nwdft.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwdft.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft' Making libraries in rimp2 make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rimp2' Compiling rimp2_v_e2.F... rimp2_v_e2.F:164:56: 161 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 164 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mk_1d_shdist.F... Compiling ga_by_shells.F... Compiling xf3ci_step12.F... Compiling xf3ci_step3.F... Compiling xform_3cints.F... Compiling occ_ranges.F... Compiling rimp2_xf.F... Compiling close_3ci.F... Compiling open_3ci.F... Compiling put_3cints.F... Compiling get_3cints.F... Compiling rimp2.F... rimp2.F:130:54: 126 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 130 | if (.not. rtdb_get(rtdb,'dft:e_conv',mt_dbl,1,threshscf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling dgecop.F... Compiling lnblnk.f... Compiling max_v_diag.F... Compiling rimp2_parm.F... rimp2_parm.F:31:20: 23 | If ( .NOT. RTDB_Get( RTDB, 'mp2:aotol2e', MT_Dbl, 1, Thresh) ) | 2 ...... 31 | $ MT_Int, 1, MxTBatch) ) MxTBatch = -1 ! Determined by memory space | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling rimp2_timers.F... Compiling pr_corr_map.F... Compiling prog_report.F... Compiling xf3ci_mem12.F... Compiling iamax.f... Compiling rimp2_e_mem.F... rimp2_e_mem.F:124:12: 59 | $ 'RIMP2_E_Mem: Unable to allocate minimal GA', 0, GA_ERR) | 2 ...... 124 | $ Mem_Avail, MA_ERR) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rimp2' Compiling rimp2_denom.F... Compiling sum_pairs.F... Compiling xf3ci_s12a.F... Compiling xf3ci_s12b.F... Compiling eval_3ci.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rimp2' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rimp2' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/librimp2.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/librimp2.a rimp2_v_e2.o mk_1d_shdist.o ga_by_shells.o xf3ci_step12.o xf3ci_step3.o xform_3cints.o occ_ranges.o rimp2_xf.o close_3ci.o open_3ci.o put_3cints.o get_3cints.o rimp2.o dgecop.o lnblnk.o max_v_diag.o rimp2_parm.o rimp2_timers.o pr_corr_map.o prog_report.o xf3ci_mem12.o iamax.o rimp2_e_mem.o rimp2_denom.o sum_pairs.o xf3ci_s12a.o xf3ci_s12b.o eval_3ci.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/librimp2.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/librimp2.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/librimp2.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rimp2' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rimp2' Making libraries in stepper make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/stepper' Compiling stpr_cheker.F... Compiling stpr_chkhess.F... stpr_chkhess.F:31:10: 31 | IF (LSYM) THEN | ^ Warning: 'lsym' may be used uninitialized [-Wmaybe-uninitialized] stpr_chkhess.F:11:18: 11 | LOGICAL LSYM | ^ note: 'lsym' was declared here Compiling stpr_clnstp.F... Compiling stpr_cneed.f... Compiling stpr_cross.f... Compiling stpr_driver.F... Compiling stpr_fndmde.F... Compiling stpr_formup.F... Compiling stpr_gmass.f... Compiling stpr_hesupd.F... Compiling stpr_hmass.f... Compiling stpr_inihes.F... Compiling stpr_face.F... Compiling stpr_locate.f... stpr_face.F:13:61: 13 | if (.not.rtdb_get(rtdb,'stepper:select',MT_INT,(3*nat),selbuf)) | 1 ...... 484 | if (.not.rtdb_get(rtdb,'stepper:setmass:dbl',MT_DBL,nat,xmass)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). stpr_face.F:454:62: 437 | if (.not.rtdb_put(rtdb,'stepper:select',MT_INT,(3*nat),selbuf)) | 2 ...... 454 | if (.not.rtdb_put(rtdb,'stepper:setmass:dbl',MT_DBL,nat,xmass)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling stpr_matout.f... Compiling stpr_mgeom.f... Compiling stpr_mkstep.F... Compiling stpr_mktri.f... Compiling stpr_output.F... Compiling stpr_place.F... Compiling stpr_pmat.f... Compiling stpr_prntpd.f... Compiling stpr_projec.f... Compiling stpr_putbck.f... Compiling stpr_readsq.F... Compiling stpr_save.F... Compiling stpr_setmass.f... Compiling stpr_stepcor.F... Compiling stpr_stepper.f... Compiling stpr_sumstc.F... Compiling stpr_tprntd.f... Compiling stpr_uprcase.f... Compiling stpr_wlkchk.F... Compiling stpr_wrtsq.F... Compiling stpr_walk.F... Compiling stpr_datestp.f... stpr_walk.F:176:14: 95 | if (.not. rtdb_get(rtdb, 'task:energy', MT_DBL, 1, energy)) | 2 ...... 176 | $ okeepgeom)) okeepgeom = .false. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling distang.F... Compiling stpr_gh_at.F... stpr_gh_at.F:244:72: 244 | & ('stpr_gen_hess_at: reference point energy+grad failed',7) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) stpr_gh_at.F:371:26: 86 | & numerical_single)) then | 2 ...... 371 | & rank_hess,dbl_mb(k_gradm))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling stpr_gen_aux.F... stpr_gh_at.F:874:12: 874 | if (ogeom_aliased) then | ^ Warning: 'ogeom_aliased' may be used uninitialized [-Wmaybe-uninitialized] stpr_gh_at.F:59:27: 59 | logical ogeom_aliased | ^ note: 'ogeom_aliased' was declared here stpr_gh_at.F:729:72: 729 | time_taskg = int(1.2d00*(time_taskg1 + time_taskg2)) | ^ Warning: 'time_taskg1' may be used uninitialized [-Wmaybe-uninitialized] stpr_gh_at.F:62:34: 62 | double precision time_taskg1, time_taskg2 | ^ note: 'time_taskg1' was declared here stpr_gh_at.F:729:72: 729 | time_taskg = int(1.2d00*(time_taskg1 + time_taskg2)) | ^ Warning: 'time_taskg2' may be used uninitialized [-Wmaybe-uninitialized] stpr_gh_at.F:62:47: 62 | double precision time_taskg1, time_taskg2 | ^ note: 'time_taskg2' was declared here Compiling stpr_filenames.F... stpr_gen_aux.F:284:72: 284 | end | ^ Warning: '__result_stpr_check_genat_res' may be used uninitialized [-Wmaybe-uninitialized] stpr_gen_aux.F:216:47: 216 | logical function stpr_check_genat_restart( | ^ note: '__result_stpr_check_genat_res' was declared here Compiling stepper_inp.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/stepper' Compiling stpr_partit.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/stepper' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/stepper' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libstepper.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libstepper.a stpr_cheker.o stpr_chkhess.o stpr_clnstp.o stpr_cneed.o stpr_cross.o stpr_driver.o stpr_fndmde.o stpr_formup.o stpr_gmass.o stpr_hesupd.o stpr_hmass.o stpr_inihes.o stpr_face.o stpr_locate.o stpr_matout.o stpr_mgeom.o stpr_mkstep.o stpr_mktri.o stpr_output.o stpr_place.o stpr_pmat.o stpr_prntpd.o stpr_projec.o stpr_putbck.o stpr_readsq.o stpr_save.o stpr_setmass.o stpr_stepcor.o stpr_stepper.o stpr_sumstc.o stpr_tprntd.o stpr_uprcase.o stpr_wlkchk.o stpr_wrtsq.o stpr_walk.o stpr_datestp.o distang.o stpr_gh_at.o stpr_gen_aux.o stpr_filenames.o stepper_inp.o stpr_partit.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libstepper.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libstepper.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libstepper.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/stepper' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/stepper' Making libraries in driver make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/driver' Compiling opt_drv.F... Compiling oniom.F... oniom.F:186:11: 88 | $ usesymmol)) usesymmol=.false. | 2 ...... 186 | $ model_nat)) call errquit('oniom: model_nat?',0, RTDB_ERR) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). oniom.F:598:54: 120 | $ int_mb(k_actlist))) call errquit | 2 ...... 598 | if (.not. rtdb_put(rtdb,'oniom:energy',mt_dbl,1,energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling lbfgs.F... opt_drv.F:3480:23: 3479 | call ga_brdcst(1,ds, ma_sizeof(mt_dbl,nvar,mt_byte),0) | 2 3480 | call ga_brdcst(2,alpha, ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) opt_drv.F:1968:23: 1968 | call ga_brdcst(2,alpha, ma_sizeof(mt_dbl,1,mt_byte),0) | 1 ...... 3479 | call ga_brdcst(1,ds, ma_sizeof(mt_dbl,nvar,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) opt_drv.F:2850:50: 2497 | if (.not. rtdb_get(rtdb, 'task:energy', mt_dbl, 1, aenergy)) | 2 ...... 2850 | if (.not.rtdb_get(rtdb,'task:QMMM',mt_log,1,task_qmmm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). opt_drv.F:3714:11: 2497 | if (.not. rtdb_get(rtdb, 'task:energy', mt_dbl, 1, aenergy)) | 2 ...... 3714 | $ gx)) call errquit('driver: could not get gradient',0,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) opt_drv.F:956:26: 956 | 20 call ga_brdcst(323, old_hessian, ma_sizeof(mt_log,1,mt_byte), 0) | 1 ...... 3479 | call ga_brdcst(1,ds, ma_sizeof(mt_dbl,nvar,mt_byte),0) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling lbfgs-b.F... lbfgs-b.F:4127:50: 4125 | do 30 j = 2, n | 2 4126 | temp = -b(j-1) 4127 | call yaxpy(n-j+1,temp,t(j,j-1),1,b(j),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4128:17: 4125 | do 30 j = 2, n | 2 ...... 4128 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4128:24: 4125 | do 30 j = 2, n | 2 ...... 4128 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4128:31: 4125 | do 30 j = 2, n | 2 ...... 4128 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4166:17: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4166:24: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4166:42: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4167:17: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) 4167 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4167:24: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) 4167 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4167:31: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) 4167 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling lbfgs-b_driver.F... lbfgs-b_driver.F:126:58: 110 | if (.not. rtdb_get(irtdb,'onlystress',mt_log,1,onlystress)) | 2 ...... 126 | if (.not. rtdb_get(irtdb,'driver:gmax_tol',mt_dbl,1,tol(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). lbfgs-b_driver.F:578:72: 578 | + call errquit( pname//'Failed to deallocate memory') | 1 Warning: Missing actual argument for argument '_formal_12' at (1) Compiling lbfgs_driver.F... lbfgs_driver.F:86:57: 71 | if(.not.rtdb_get(irtdb,'lbfgs:maxiter',mt_int,1,maxiter)) | 2 ...... 86 | if (.not. rtdb_get(irtdb,'task:energy', mt_dbl, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). lbfgs-b.F:3121:41: 3121 | integer pointr,m2,col2,ibd,jy,js,i,j,k | ^ Warning: 'ibd' may be used uninitialized [-Wmaybe-uninitialized] Compiling lbfgs_utils.F... lbfgs-b.F:1464:72: 1464 | t(nbreak) = tl/(-neggi) | ^ Warning: 'tl' may be used uninitialized [-Wmaybe-uninitialized] lbfgs-b.F:1392:28: 1392 | + tu,tl,wmc,wmp,wmw,ydot,tj,tj0,neggi,sbgnrm | ^ note: 'tl' was declared here lbfgs-b.F:1392:25: 1392 | + tu,tl,wmc,wmp,wmw,ydot,tj,tj0,neggi,sbgnrm | ^ Warning: 'tu' may be used uninitialized [-Wmaybe-uninitialized] Compiling socket_driver.F... socket_driver.F:150:42: 121 | call util_talker_read(sock,msg,12) | 2 ...... 150 | call util_talker_read(sock,unita,n1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). socket_driver.F:190:43: 143 | call util_talker_write(sock,statebuffer,12) | 2 ...... 190 | call util_talker_write(sock,energy,8) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/driver' opt_drv.F:4333:72: 4333 | RX = (RXI + ix*amatangs(1,1)+iy*amatangs(1,2)+iz*amatangs(1,3)) | ^ Warning: 'lowx' may be used uninitialized [-Wmaybe-uninitialized] opt_drv.F:4223:18: 4223 | integer lowx,highx,lowy,highy,lowz,highz | ^ note: 'lowx' was declared here opt_drv.F:4333:72: 4333 | RX = (RXI + ix*amatangs(1,1)+iy*amatangs(1,2)+iz*amatangs(1,3)) | ^ Warning: 'lowy' may be used uninitialized [-Wmaybe-uninitialized] opt_drv.F:4223:29: 4223 | integer lowx,highx,lowy,highy,lowz,highz | ^ note: 'lowy' was declared here opt_drv.F:4333:72: 4333 | RX = (RXI + ix*amatangs(1,1)+iy*amatangs(1,2)+iz*amatangs(1,3)) | ^ Warning: 'lowz' may be used uninitialized [-Wmaybe-uninitialized] opt_drv.F:4223:40: 4223 | integer lowx,highx,lowy,highy,lowz,highz | ^ note: 'lowz' was declared here opt_drv.F:2815:72: 2815 | work(i3+1,k) = xx | ^ Warning: 'xx' may be used uninitialized [-Wmaybe-uninitialized] opt_drv.F:2765:47: 2765 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'xx' was declared here opt_drv.F:2816:72: 2816 | work(i3+2,k) = yy | ^ Warning: 'yy' may be used uninitialized [-Wmaybe-uninitialized] opt_drv.F:2765:51: 2765 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'yy' was declared here opt_drv.F:2817:72: 2817 | work(i3+3,k) = zz | ^ Warning: 'zz' may be used uninitialized [-Wmaybe-uninitialized] opt_drv.F:2765:55: 2765 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'zz' was declared here Compiling driver_input.F... driver_input.F:60:60: 39 | if (.not. rtdb_put(rtdb,'opt:driver',mt_log,1,.true.)) | 2 ...... 60 | if (.not. rtdb_put(rtdb,'driver:gmax_tol',mt_dbl,1,gmax_tol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/driver' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/driver' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdriver.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdriver.a opt_drv.o oniom.o lbfgs.o lbfgs-b.o lbfgs-b_driver.o lbfgs_driver.o lbfgs_utils.o socket_driver.o driver_input.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdriver.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdriver.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdriver.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/driver' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/driver' Making libraries in optim make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim' Making all in deloc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/deloc' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/deloc' Compiling deloc_driver.F... deloc_driver.F:140:57: 105 | if(.not.rtdb_get(irtdb,'driver:nptopt',mt_int,1,maxiter)) | 2 ...... 140 | if (.not. rtdb_get(irtdb,'task:energy', mt_dbl, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling deloc.F... Compiling deloc_utils.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/deloc' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/deloc' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/liboptim.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/liboptim.a deloc_driver.o deloc.o deloc_utils.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/liboptim.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/liboptim.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/liboptim.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/deloc' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/deloc' Making all in mepgs make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/mepgs' Compiling mepgs_drv.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/mepgs' mepgs_drv.F:2728:11: 1092 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 2 ...... 2728 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) mepgs_drv.F:2334:50: 1092 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 2 ...... 2334 | if (.not.rtdb_get(rtdb,'task:QMMM',mt_log,1,task_qmmm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). mepgs_drv.F:3007:23: 3006 | call ga_brdcst(1,ds,8*nvar,0) | 2 3007 | call ga_brdcst(2,alpha,8,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:1702:26: 1702 | 40 call ga_brdcst(323, old_hessian, ma_sizeof(mt_log,1,mt_byte), 0) | 1 ...... 3006 | call ga_brdcst(1,ds,8*nvar,0) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). mepgs_drv.F:453:58: 453 | $ call errquit('mepgs_energy_step: coordinates?', string, | 1 ...... 1019 | & call errquit('hnd_opt: geom_create?', 911, GEOM_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(*)/INTEGER(8)). mepgs_drv.F:3287:58: 3219 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 3287 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). mepgs_drv.F:2299:72: 2299 | work(i3+1,k) = mass*xx | ^ Warning: 'xx' may be used uninitialized [-Wmaybe-uninitialized] mepgs_drv.F:2237:47: 2237 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'xx' was declared here mepgs_drv.F:2300:72: 2300 | work(i3+2,k) = mass*yy | ^ Warning: 'yy' may be used uninitialized [-Wmaybe-uninitialized] mepgs_drv.F:2237:51: 2237 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'yy' was declared here mepgs_drv.F:2301:72: 2301 | work(i3+3,k) = mass*zz | ^ Warning: 'zz' may be used uninitialized [-Wmaybe-uninitialized] mepgs_drv.F:2237:55: 2237 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'zz' was declared here mepgs_drv.F:3106:72: 3106 | itlamb = lower + 1.0d-5 | ^ Warning: 'lower' may be used uninitialized [-Wmaybe-uninitialized] mepgs_drv.F:3087:58: 3087 | double precision check,dfn,dx,fn,itlamb,lambda,lower,upper | ^ note: 'lower' was declared here mepgs_drv.F:2916:10: 2916 | if (abs(gc(lowest)).lt.1.d-10) then | ^ Warning: 'lowest' may be used uninitialized [-Wmaybe-uninitialized] mepgs_drv.F:2804:26: 2804 | integer iact, lowest | ^ note: 'lowest' was declared here mepgs_drv.F:54:72: 54 | energy = energyts | ^ Warning: 'energyts' may be used uninitialized [-Wmaybe-uninitialized] mepgs_drv.F:21:31: 21 | double precision energyts | ^ note: 'energyts' was declared here Compiling mepgs_input.F... mepgs_input.F:57:58: 38 | if (.not. rtdb_put(rtdb,'mepgs:evib',mt_dbl,1,evib)) | 2 ...... 57 | if (.not. rtdb_put(rtdb,'mepgs:nircopt',mt_int,1,nircopt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/mepgs' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/mepgs' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/liboptim.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/liboptim.a mepgs_drv.o mepgs_input.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/liboptim.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/liboptim.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/mepgs' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/mepgs' Making all in tropt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/tropt' Compiling tropt_drv.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/tropt' tropt_drv.F:2288:11: 1868 | if (.not.rtdb_get(rtdb,'task:QMMM',mt_log,1,task_qmmm)) | 2 ...... 2288 | $ gx)) call errquit('tropt: could not get gradient',0,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). tropt_drv.F:2812:23: 2811 | call ga_brdcst(1,ds,8*nvar,0) | 2 2812 | call ga_brdcst(2,alpha,8,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tropt_drv.F:1757:26: 1757 | call ga_brdcst(1001,tropt_converged,ma_sizeof(mt_log,1,mt_byte),0) | 1 ...... 2811 | call ga_brdcst(1,ds,8*nvar,0) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). tropt_drv.F:1833:72: 1833 | work(i3+1,k) = xx | ^ Warning: 'xx' may be used uninitialized [-Wmaybe-uninitialized] tropt_drv.F:1784:47: 1784 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'xx' was declared here tropt_drv.F:1834:72: 1834 | work(i3+2,k) = yy | ^ Warning: 'yy' may be used uninitialized [-Wmaybe-uninitialized] tropt_drv.F:1784:51: 1784 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'yy' was declared here tropt_drv.F:1835:72: 1835 | work(i3+3,k) = zz | ^ Warning: 'zz' may be used uninitialized [-Wmaybe-uninitialized] tropt_drv.F:1784:55: 1784 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'zz' was declared here tropt_drv.F:3142:72: 3142 | lower = max(tmp1,tmp2) | ^ Warning: 'tmp1' may be used uninitialized [-Wmaybe-uninitialized] tropt_drv.F:3036:27: 3036 | double precision tmp1,tmp2 | ^ note: 'tmp1' was declared here tropt_drv.F:3142:72: 3142 | lower = max(tmp1,tmp2) | ^ Warning: 'tmp2' may be used uninitialized [-Wmaybe-uninitialized] tropt_drv.F:3036:32: 3036 | double precision tmp1,tmp2 | ^ note: 'tmp2' was declared here tropt_drv.F:2697:14: 2697 | if (eigval(hfollow).gt.-eigval(bmin)) lambda = eigval(lowest) | ^ Warning: 'bmin' may be used uninitialized [-Wmaybe-uninitialized] tropt_drv.F:2504:24: 2504 | integer iact, bmin, lowest, nneg | ^ note: 'bmin' was declared here tropt_drv.F:2691:10: 2691 | if (abs(gv(lowest)).lt.1.e-8) then | ^ Warning: 'lowest' may be used uninitialized [-Wmaybe-uninitialized] tropt_drv.F:2504:32: 2504 | integer iact, bmin, lowest, nneg | ^ note: 'lowest' was declared here Compiling tropt_input.F... tropt_input.F:48:59: 21 | if (.not. rtdb_put(rtdb,'opt:tropt',mt_log,1,.true.)) | 2 ...... 48 | if (.not. rtdb_put(rtdb,'tropt:gmax_tol',mt_dbl,1,gmax_tol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/tropt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/tropt' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/liboptim.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/liboptim.a tropt_drv.o tropt_input.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/liboptim.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/liboptim.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/tropt' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/tropt' Making all in neb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/neb' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/neb' Compiling neb_input.F... neb_input.F:82:55: 57 | if (.not. rtdb_put(rtdb,'neb:algorithm',mt_int,1,nbeads)) | 2 ...... 82 | if (.not. rtdb_put(rtdb,'neb:stepsize',mt_dbl,1,timestep)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling neb_drv.F... neb_drv.F:96:50: 81 | if (.not. rtdb_get(rtdb,'neb:gmax',mt_dbl,1,nebgmax)) | 2 ...... 96 | if (.not.rtdb_get(rtdb,'neb:steps',mt_int,1,nebsteps)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). neb_drv.F:986:54: 781 | if (.not.rtdb_put(rtdb,'neb:print_count',mt_int,1,print_count)) | 2 ...... 986 | if (.not.rtdb_put(rtdb,'bead_list:new',mt_log,1,.false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling neb_utils.F... Compiling bead_list.F... neb_utils.F:863:54: 809 | if (.not. rtdb_get(rtdb,'neb:pathguess',mt_int,1,pathguess)) | 2 ...... 863 | if (.not.rtdb_get(rtdb,'neb:hasmiddle',mt_log,1,hasmiddle)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). bead_list.F:1449:59: 301 | value = rtdb_get(bead_rtdb,rtdb_name,mt_int,1,size) | 2 ...... 1449 | if (.not.rtdb_get(bead_rtdb,'includestress',mt_log,1,ostress)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). bead_list.F:472:54: 467 | if(.not.rtdb_put(bead_rtdb,"scf:converged",mt_log,1,.false.)) | 2 ...... 472 | if(.not.rtdb_put(bead_rtdb,"neb:ibead",mt_int,1,i)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/neb' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/neb' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/liboptim.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/liboptim.a neb_input.o neb_drv.o neb_utils.o bead_list.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/liboptim.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/liboptim.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/neb' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/neb' Making all in string make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/string' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/string' Compiling string.F... string.F:479:58: 475 | if (.not. rtdb_get(rtdb, 'string:linopt', mt_log,1,linopt)) | 2 ...... 479 | if (.not. rtdb_get(rtdb,'string:pathguess',mt_int,1,pathguess)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). string.F:1788:33: 598 | call ycopy(ng,coords,1,coords_old,1) | 2 ...... 1788 | call ycopy(3*natoms*nbeads,0.0d0,0,dVdx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) string.F:1821:59: 845 | > mt_int,1,print_count)) | 2 ...... 1821 | if(.not.rtdb_put(rtdb,"scf:converged",mt_log,1,.false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling string_input.F... string_input.F:70:14: 46 | if (.not. rtdb_put(rtdb,'string:tol',mt_dbl,1,tol)) | 2 ...... 70 | $ nbeads)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/string' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/string' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/liboptim.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/liboptim.a string.o string_input.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/liboptim.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/liboptim.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/string' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/string' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim' Making libraries in cphf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cphf' Compiling cphf.F... Compiling cphf_poliz.F... cphf_poliz.F:133:52: 119 | if(.not.rtdb_get(rtdb,'scf:nalpha',mt_int,1,noa)) | 2 ...... 133 | if (.not. rtdb_get(rtdb,'dft:noc',mt_int,2,noc)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cphf_solve.F... cphf_solve.F:156:11: 152 | $ lshift)) lshift=0.0d0 | 2 ...... 156 | $ max_precond_iter)) max_precond_iter = 100 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cphf_solve.F:198:61: 195 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 198 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cphf_solve2.F... cphf_solve2.F:165:11: 158 | $ lshift)) lshift=0.0 | 2 ...... 165 | $ maxiter)) maxiter = 50 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cphf_solve2.F:237:61: 234 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 237 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cphf_solve3.F... cphf_solve3.F:227:11: 129 | if (.not. rtdb_get(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 2 ...... 227 | $ precond_tol)) precond_tol=1d-4 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cphf_solve3.F:342:61: 339 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 342 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cphf_solve4.F... cphf_solve4.F:153:11: 151 | $ precond_tol)) precond_tol=1d-4 | 2 152 | if (.not. rtdb_get(rtdb, 'cphf:maxiter', mt_int, 1, 153 | $ max_precond_iter)) max_precond_iter = 100 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cphf_solve4.F:206:61: 203 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 206 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cphf' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libcphf.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libcphf.a cphf.o cphf_poliz.o cphf_solve.o cphf_solve2.o cphf_solve3.o cphf_solve4.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libcphf.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libcphf.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libcphf.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cphf' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cphf' Making libraries in ccsd make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ccsd' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ccsd' Compiling ccden_driver.F... Compiling ccden_interm2.F... Compiling ccden_1pdm.F... Compiling ccsd_driver.F... ccsd_driver.F:357:57: 88 | if (.not. rtdb_get(rtdb, 'scf:nclosed', MT_INT, 1, nocc)) | 2 ...... 357 | If ( .NOT. RTDB_Get(RTDB, 'scf:energy', MT_Dbl, 1, RefEner) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ccsd_driver.F:384:20: 132 | $ occ_frozen)) | 2 ...... 384 | $ MT_Dbl, 1, EMP2) ) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ccsd_sortmo.F... Compiling geaxpy.F... Compiling ccden_2pdma.F... Compiling ccden_2pdmb.F... Compiling ccsd_mktau_ga.F... Compiling ccden_interm4.F... Compiling aoccsd2.F... aoccsd2.F:319:11: 316 | if (.not.rtdb_get(rtdb,'ccsd:use_ccsd_omp',mt_log,1,use_ccsd_omp)) | 2 ...... 319 | A ccsd_omp_threads)) ccsd_omp_threads=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ccsd_itm.F... Compiling ccsd_itm_omp.F... Compiling ccsd_t2pm.F... ccsd_t2pm.F:436:38: 399 | if (eaf_read(sxy_hl,faddr,icount,intsize*2).ne.0) | 2 ...... 436 | if (eaf_read(sxy_hl,faddr,ival,intsize).ne.0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ccsd_t2pm.F:448:38: 399 | if (eaf_read(sxy_hl,faddr,icount,intsize*2).ne.0) | 2 ...... 448 | if (eaf_read(sxy_hl,faddr,eri1,blocksize).ne.0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ccsd_t2pm.F:596:48: 504 | if (eaf_write(sxy_hl,faddr,icount,intsize*2).ne.0) | 2 ...... 596 | if (eaf_write(sxy_hl,faddr,eri1,blocksize).ne.0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ccsd_pampt2.F... Compiling ccsd_pampt3.F... Compiling ccsd_idx1.F... Compiling ccsd_idx2.F... Compiling ccsd_idx34.F... Compiling ccsd_tengy.F... Compiling ccsd_trpdrv.F... Compiling ccsd_trpdrv_nb.F... Compiling ccsd_trpdrv_omp.F... Compiling ccsd_trpdrv_omp_mixprec.F... Compiling moints_trp.F... moints_trp.F:136:72: 136 | $ ('moints: cannot get geometry', 0, GEOM_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:141:72: 141 | $ call errquit('moints_trp: cannot get basis info',0,BASIS_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:159:72: 159 | $ call errquit('moints_trp: no memory for syms?',0, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:162:72: 162 | $ call errquit('moints_trp: cannot ga_create tmp',0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:169:72: 169 | $ call errquit('cannot destroy tmp',0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:172:72: 172 | & UNKNOWN_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:206:72: 206 | & MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:232:72: 232 | & MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:272:72: 272 | $ call errquit('moints_trp: push ssbb',n_ssbb,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:293:72: 293 | $ call errquit('moints_trp: push buf',max2e,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:296:72: 296 | $ call errquit('moints_trp: push scr',mem2,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:309:72: 309 | $ call errquit('moints_trp: pop iscr',l_iscr,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:311:72: 311 | $ call errquit('moints_trp: pop eri',l_eri,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:315:72: 315 | $ call errquit('moints_trp: push hlp',n_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:322:72: 322 | $ MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:337:72: 337 | $ MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:349:72: 349 | $ call errquit('moints_trp: pop hlp',l_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:355:72: 355 | $ call errquit('moints_trp: pop ssbb',l_ssbb,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:359:72: 359 | $ call errquit('moints_trp: push hlp',n_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:365:72: 365 | $ call errquit('moints_trp: push hlp2',n_hlp2,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:377:72: 377 | $ call errquit('moints_trp: pop hlp2',l_hlp2,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:384:72: 384 | $ call errquit('moints_trp: push hlp3',n_hlp3,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:393:72: 393 | $ call errquit('moints_trp: pop hlp3',l_hlp3,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:410:72: 410 | $ call errquit('moints_trp: pop hlp',l_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:422:72: 422 | $ call errquit('moints_trp: failed to pop', l_shmap, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:450:72: 450 | $ call errquit('moints_trp: pop hlp', l_hlp, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:453:72: 453 | $ call errquit('moints_trp: pop sym',0, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling ccsd.F... Compiling ccsd_aux.F... Compiling ccsd_get_param.F... ccsd_get_param.F:21:22: 19 | if (.not. rtdb_get(Rtdb, 'ccsd:ccd', mt_log, 1, occd))occd=.false. | 2 20 | if (.not. rtdb_get(rtdb, 'ccsd:maxiter', 21 | $ MT_INT, 1, maxit)) maxit = 20 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ccsd_iterdrv2.F... ccsd_iterdrv2.F:173:60: 111 | if (.not. rtdb_get(rtdb, 'ccsd:usedisk', mt_log, 1, use_disk)) | 2 ...... 173 | if(.not.rtdb_get(rtdb, 'ccsd:corlenerg',MT_DBL, 1, eccsd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). ccsd_iterdrv2.F:243:60: 239 | if(.not.rtdb_put(rtdb, 'ccsd:corlenerg',MT_DBL, 1, eccsd)) | 2 ...... 243 | if(.not.rtdb_put(rtdb, 'ccsd:converged',MT_LOG, 1, oconverged)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling ccsd_mktask.F... Compiling ccsd_mkt2.F... Compiling ccsd_pdiis.F... Compiling ccsd_trpmo.F... Compiling ccsd_rdtrpo.F... Compiling qstat.F... qstat.F:182:34: 179 | call ga_dgop(msg_qstat_3,nrout,1,'min') | 2 ...... 182 | call ga_dgop(msg_qstat_1,tcp_min,1,'min') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling cputime.F... Compiling rddcom.F... Compiling ccsd_input.F... ccsd_input.F:71:57: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 71 | if (.not. rtdb_put(rtdb, 'ccsd:thresh', mt_dbl, 1, convi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ccsd_input.F:106:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 106 | $ IList)) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:114:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 114 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:122:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 122 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:130:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 130 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:138:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 138 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:146:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 146 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:154:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 154 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ccsd_graddrv.F... Compiling ccsd_zvecs.F... Compiling ccsd_pzamp.F... Compiling ccsd_zsig1.F... Compiling ccsd_zsig2.F... Compiling ccsd_z2pm.F... Compiling ccsd_tzinta.F... Compiling ccsd_tzintb.F... Compiling ccsd_mem.F... Compiling ccsd_pstat.F... Compiling convert_single_double.F... Compiling ccsd_aosig.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ccsd' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ccsd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libccsd.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libccsd.a ccden_driver.o ccden_interm2.o ccden_1pdm.o ccsd_driver.o ccsd_sortmo.o geaxpy.o ccden_2pdma.o ccden_2pdmb.o ccsd_mktau_ga.o ccden_interm4.o aoccsd2.o ccsd_itm.o ccsd_itm_omp.o ccsd_t2pm.o ccsd_pampt2.o ccsd_pampt3.o ccsd_idx1.o ccsd_idx2.o ccsd_idx34.o ccsd_tengy.o ccsd_trpdrv.o ccsd_trpdrv_nb.o ccsd_trpdrv_omp.o ccsd_trpdrv_omp_mixprec.o moints_trp.o ccsd.o ccsd_aux.o ccsd_get_param.o ccsd_iterdrv2.o ccsd_mktask.o ccsd_mkt2.o ccsd_pdiis.o ccsd_trpmo.o ccsd_rdtrpo.o qstat.o cputime.o rddcom.o ccsd_input.o ccsd_graddrv.o ccsd_zvecs.o ccsd_pzamp.o ccsd_zsig1.o ccsd_zsig2.o ccsd_z2pm.o ccsd_tzinta.o ccsd_tzintb.o ccsd_mem.o ccsd_pstat.o convert_single_double.o ccsd_aosig.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libccsd.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libccsd.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libccsd.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ccsd' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ccsd' Making libraries in vib make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/vib' Compiling vib_bcalc.F... Compiling vib_bend.F... Compiling vib_bstr.F... Compiling vib_cebdab.F... Compiling vib_chkhess.F... Compiling vib_clean.F... Compiling vib_cross.F... Compiling vib_dsquar.F... Compiling vib_dtrngl.F... Compiling vib_eckart.F... Compiling vib_gtors.F... Compiling vib_hmass.F... Compiling vib_libe.F... Compiling vib_nmass.F... Compiling vib_prdata.F... Compiling vib_prntpd.F... Compiling vib_rdinp.F... vib_rdinp.F:95:44: 61 | if (rtdb_get(rtdb,'vib:project',MT_LOG,1,dum_log)) then | 2 ...... 95 | & (rtdb,'vib:remass:count',mt_int,1,num_new_masses)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling vib_setup.F... Compiling vib_tors.F... Compiling vib_transp.F... Compiling vib_vib.F... Compiling vib_wmatrix.F... Compiling vib_wrtfreq.F... vib_wrtfreq.F:199:50: 194 | if (.not.rtdb_put(rtdb,'vib:linear',mt_log,1,.true.)) | 2 ...... 199 | if(.not. rtdb_put(rtdb,'vib:zpe',MT_DBL,1,ezero)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling vib_zmatin.F... Compiling vib_intense.F... Compiling vib_istep.F... vib_istep.F:252:33: 248 | & mt_dbl,1,step_size)) then | 2 ...... 252 | & mt_log,1,overwrite_files)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling vib_thermo.F... Compiling vib_phonon.F... vib_phonon.F:1127:30: 1125 | call yscal(2*nion3*nion3,1.0d6,dmat,1) | 2 1126 | call jheev('N','U',nion3,dmat,nion3,wp,work,lwork,rwork,ierr) 1127 | call yscal(nion3,1.0d-6,wp,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). vib_phonon.F:53:52: 53 | if (.not.rtdb_get(rtdb,'vib:animate',mt_log,1,animate)) | 1 ...... 584 | if(.not. rtdb_get(rtdb,'vib:scalefreq',MT_DBL,1,scalefreq)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). vib_phonon.F:156:72: 156 | > hess,dbl_mb(hessadjust(1))) | 1 Warning: Type mismatch in argument 'w1' at (1); passed COMPLEX(8) to REAL(8) Compiling vib_zone_input.F... vib_zone_input.F:138:26: 130 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 138 | > dbl_mb(kvs(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling vib_input.F... vib_input.F:70:51: 61 | if (.not.rtdb_put(rtdb,'vib:animate',mt_log,1,.true.)) | 2 ...... 70 | & 'vib:animate:step_size',mt_dbl,1,animate_step)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). vib_phonon.F:1076:43: 1076 | real*8 dx,dy,dz,x,y,z,d2,d2min,qrmin,fac | ^ Warning: 'qrmin' may be used uninitialized [-Wmaybe-uninitialized] make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/vib' vib_phonon.F:297:72: 297 | > +(kq(3)-kold(3))**2) | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] vib_phonon.F:33:54: 33 | real*8 xx,yy,zz,xxx,yyy,zzz,ks(3),kq(3),kold(3),pathlength,dist | ^ note: 'kold[2]' was declared here vib_phonon.F:297:72: 297 | > +(kq(3)-kold(3))**2) | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] vib_phonon.F:33:54: 33 | real*8 xx,yy,zz,xxx,yyy,zzz,ks(3),kq(3),kold(3),pathlength,dist | ^ note: 'kold[1]' was declared here vib_phonon.F:297:72: 297 | > +(kq(3)-kold(3))**2) | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] vib_phonon.F:33:54: 33 | real*8 xx,yy,zz,xxx,yyy,zzz,ks(3),kq(3),kold(3),pathlength,dist | ^ note: 'kold[0]' was declared here Compiling vib_callg.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/vib' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/vib' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libvib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libvib.a vib_bcalc.o vib_bend.o vib_bstr.o vib_cebdab.o vib_chkhess.o vib_clean.o vib_cross.o vib_dsquar.o vib_dtrngl.o vib_eckart.o vib_gtors.o vib_hmass.o vib_libe.o vib_nmass.o vib_prdata.o vib_prntpd.o vib_rdinp.o vib_setup.o vib_tors.o vib_transp.o vib_vib.o vib_wmatrix.o vib_wrtfreq.o vib_zmatin.o vib_intense.o vib_istep.o vib_thermo.o vib_phonon.o vib_zone_input.o vib_input.o vib_callg.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libvib.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libvib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libvib.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/vib' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/vib' Making libraries in mcscf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mcscf' Compiling mcscf.F... mcscf.F:843:52: 843 | if (.not. rtdb_get(rtdb, 'charge', MT_DBL, 1, charge)) | 1 ...... 891 | if (.not.rtdb_get(rtdb,'mcscf:prof',MT_LOG,1,omcscfprof)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). mcscf.F:863:60: 863 | if (.not. rtdb_put(rtdb, 'mcscf:nclosed', mt_int, 1, nclosed)) | 1 ...... 902 | if (.not.rtdb_put(rtdb,'scf:pstat',MT_LOG,1,.true.)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling mcscf_b.F... mcscf_b.F:222:52: 202 | call ga_put(g_dens, i, i, i, i, 2.d0, 1 ) | 2 ...... 222 | $ call ga_put(g_dens, aoff, aend, aoff, aend, dm1, nact ) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) mcscf_b.F:97:51: 97 | $ call ga_put(g_tmp, aoff, aend, aoff, aend, dm1, nact ) | 1 ...... 202 | call ga_put(g_dens, i, i, i, i, 2.d0, 1 ) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling mcscf_aux.F... Compiling mcscf_ci.F... mcscf_ci.F:158:59: 81 | if (.not.rtdb_get(rtdb,'mcscf:cimaxiter',MT_INT,1,maxiter)) | 2 ...... 158 | if (rtdb_get(rtdb,'mcscf:guess',MT_INT,(nela+nelb),itmp)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) mcscf_aux.F:337:58: 335 | if (.not. rtdb_get(rtdb, 'mcscf:tol2e', MT_DBL, 1, tol2e)) | 2 336 | $ tol2e = 1d-9 337 | if (.not.rtdb_get(rtdb, 'mcscf:skeleton',MT_LOG, 1, oskel)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). mcscf_aux.F:985:51: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 985 | if (oscreen) call ga_put(g_v,ii,ii,1,1,zero,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:998:51: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 998 | if (oscreen) call ga_put(g_v,ii,ii,1,1,zero,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1010:51: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1010 | if (oscreen) call ga_put(g_v,ii,ii,1,1,zero,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1468:32: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1468 | call ga_put(g_u,i,i,i,i,1.d0,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1473:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1473 | call ga_put(g_u,ii,ii,ii,ii,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1474:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1474 | call ga_put(g_u,jj,jj,jj,jj,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1476:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1476 | call ga_put(g_u,ii,ii,jj,jj,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1477:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1477 | call ga_put(g_u,jj,jj,ii,ii,-xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling mcscf_etr.F... Compiling mcscf_fcore.F... Compiling mcscf_fock.F... Compiling mcscf_hdiag.F... mcscf_fock.F:576:40: 574 | $ nclosed+1,nclosed+nact,nclosed+1,nclosed+nact, dm1, nact) | 2 575 | do p = 1, nclosed 576 | call ga_put(g_gfock,p,p,p,p,2.0d0,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling mcscf_ohv.F... Compiling mcscf_ohv1e.F... Compiling mcscf_ohv2e.F... Compiling mcscf_ohvao.F... Compiling mcscf_ohvmo.F... Compiling mcscf_orb.F... Compiling mcscf_prcnd.F... mcscf_orb.F:112:60: 104 | if (.not. rtdb_get(rtdb,'mcscf:tol2e',MT_DBL,1,tol2e)) then | 2 ...... 112 | if (.not. rtdb_get(rtdb,'mcscf:hessiantype',MT_INT,1,pflg)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling mcscf_debug.F... Compiling mcscf_input.F... mcscf_input.F:75:59: 67 | if (.not. rtdb_put(rtdb, 'mcscf:thresh', mt_dbl, 1, conv)) | 2 ...... 75 | if (.not. rtdb_put(rtdb, 'mcscf:maxiter', mt_int, 1, maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Making all in detci make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mcscf/detci' Compiling detci_aux.F... Compiling detci_intf.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mcscf/detci' detci_aux.F:1140:72: 1140 | 110 cfg(nela+i,1) = kx(j) | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] detci_aux.F:1090:17: 1090 | integer i,j,ii,jj,nopen,noorb,isym | ^ note: 'j' was declared here detci_intf.F:919:22: 373 | call ga_dgop(msg_detci_maxsync, detci_absync_etime, | 2 ...... 919 | call ga_dgop(1, twopdm, nn*nn, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling detci_dens.F... Compiling detci_diag.F... Compiling detci_sigma.F... Compiling detci_spin.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mcscf/detci' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mcscf/detci' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libmcscf.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libmcscf.a detci_aux.o detci_intf.o detci_dens.o detci_diag.o detci_sigma.o detci_spin.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libmcscf.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libmcscf.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libmcscf.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mcscf/detci' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mcscf/detci' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mcscf' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libmcscf.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libmcscf.a mcscf.o mcscf_b.o mcscf_aux.o mcscf_ci.o mcscf_etr.o mcscf_fcore.o mcscf_fock.o mcscf_hdiag.o mcscf_ohv.o mcscf_ohv1e.o mcscf_ohv2e.o mcscf_ohvao.o mcscf_ohvmo.o mcscf_orb.o mcscf_prcnd.o mcscf_debug.o mcscf_input.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libmcscf.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libmcscf.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mcscf' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mcscf' Making libraries in prepar make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/prepar' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/prepar' Compiling prepar.F... Compiling pre_admin.F... pre_admin.F:178:72: 178 | return | ^ Warning: '__result_pre_admin' may be used uninitialized [-Wmaybe-uninitialized] pre_admin.F:1:32: 1 | logical function pre_admin(lfncmd,filcmd,lfnout,lfnfrg) | ^ note: '__result_pre_admin' was declared here Compiling pre_align.F... Compiling pre_ang.F... Compiling pre_atmscn.F... Compiling pre_atnam.F... Compiling pre_atnum.F... Compiling pre_atom_index.F... Compiling pre_atrad.F... Compiling pre_atype.F... Compiling pre_base.F... Compiling pre_bnd.F... Compiling pre_bonds.F... Compiling pre_boxsiz.F... Compiling pre_center.F... Compiling pre_charge.F... pre_charge.F:190:51: 131 | if(.not.rtdb_put(irtdb,'charge',mt_dbl,1,charge)) | 2 ...... 190 | if(.not.rtdb_put(irtdb,'esp:newgrd',mt_int,1,newgrd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling pre_check.F... Compiling pre_collaps.F... Compiling pre_crop.F... pre_collaps.F:278:72: 278 | xs(k,i)=xs(k,i)+root*tran(k) | ^ Warning: 'tran[0]' may be used uninitialized [-Wmaybe-uninitialized] pre_collaps.F:45:26: 45 | real*8 tr(3),tran(3),xmax(3),xmin(3) | ^ note: 'tran[0]' was declared here pre_collaps.F:278:72: 278 | xs(k,i)=xs(k,i)+root*tran(k) | ^ Warning: 'tran[1]' may be used uninitialized [-Wmaybe-uninitialized] pre_collaps.F:45:26: 45 | real*8 tr(3),tran(3),xmax(3),xmin(3) | ^ note: 'tran[1]' was declared here pre_collaps.F:278:72: 278 | xs(k,i)=xs(k,i)+root*tran(k) | ^ Warning: 'tran[2]' may be used uninitialized [-Wmaybe-uninitialized] pre_collaps.F:45:26: 45 | real*8 tr(3),tran(3),xmax(3),xmin(3) | ^ note: 'tran[2]' was declared here Compiling pre_dih.F... Compiling pre_dihimp.F... Compiling pre_dihsel.F... Compiling pre_dimens.F... Compiling pre_disres.F... Compiling pre_dummy.F... Compiling pre_equiv.F... Compiling pre_excl.F... Compiling pre_ffield.F... Compiling pre_fix.F... Compiling pre_frgsiz.F... pre_ffield.F:264:9: 264 | if(icomb.ne.jcomb) then | ^ Warning: 'jcomb' may be used uninitialized [-Wmaybe-uninitialized] pre_ffield.F:39:56: 39 | integer i,j,length,nt,ng,latnum,mult,ifnd,nd,jcomb | ^ note: 'jcomb' was declared here Compiling pre_frgrd.F... Compiling pre_gensgm.F... Compiling pre_his.F... Compiling pre_hnames.F... Compiling pre_hybrid.F... Compiling pre_imp.F... Compiling pre_input.F... pre_input.F:1239:72: 1239 | if(.not.inp_i(icolgrp)) call md_abort('pre_input collapse_group') | 1 Warning: Missing actual argument for argument '_formal_5' at (1) pre_input.F:1240:72: 1240 | if(.not.inp_i(jcolgrp)) call md_abort('pre_input collapse_group') | 1 Warning: Missing actual argument for argument '_formal_5' at (1) pre_input.F:1874:57: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1874 | if(.not.rtdb_put(irtdb,'prep:ifract',mt_int,nfract,ifract)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_input.F:1885:57: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1885 | if(.not.rtdb_put(irtdb,'prep:icount',mt_int,ncount,icount)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_input.F:1890:52: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1890 | if(.not.rtdb_put(irtdb,'prep:fcount',mt_dbl,1,fcount)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pre_input.F:1900:57: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1900 | if(.not.rtdb_put(irtdb,'prep:iogrid',mt_int,nrgrid,iogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_input.F:1902:59: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1902 | if(.not.rtdb_put(irtdb,'prep:rogrid',mt_int,2*nrgrid,rogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling pre_links.F... pre_links.F:251:9: 251 | if(pre_protein(cseq(1,i))) goto 14 | 1 Warning: Missing actual argument for argument '_formal_15' at (1) Compiling pre_master.F... Compiling pre_merge.F... pre_merge.F:88:37: 88 | + (card(17:17).ne.altloc).and.(altloc.ne.'*')) goto 1 | ^ Warning: 'altloc[1]{lb: 1 sz: 1}' may be used uninitialized [-Wmaybe-uninitialized] pre_merge.F:14:24: 14 | character*1 altloc,chain | ^ note: 'altloc[1]{lb: 1 sz: 1}' was declared here pre_merge.F:95:36: 95 | + (card(22:22).ne.chain).and.(chain.ne.'*')) goto 1 | ^ Warning: 'chain[1]{lb: 1 sz: 1}' may be used uninitialized [-Wmaybe-uninitialized] pre_merge.F:14:30: 14 | character*1 altloc,chain | ^ note: 'chain[1]{lb: 1 sz: 1}' was declared here Compiling pre_misfit.F... Compiling pre_mkfrg.F... Compiling pre_mklist.F... Compiling pre_mknoe.F... Compiling pre_mkrst.F... Compiling pre_mkseq.F... Compiling pre_mksgm.F... Compiling pre_mktop.F... Compiling pre_modify.F... Compiling pre_multip.F... Compiling pre_namiup.F... Compiling pre_natyps.F... Compiling pre_nonbon.F... Compiling pre_nucleic.F... Compiling pre_orient.F... Compiling pre_params.F... Compiling pre_parcnv.F... Compiling pre_paths.F... Compiling pre_paths2.F... Compiling pre_pdbseq.F... Compiling pre_pdbsiz.F... Compiling pre_protein.F... Compiling pre_rdgeom.F... Compiling pre_rdpdb.F... Compiling pre_rstmod.F... Compiling pre_rdrst.F... Compiling pre_rdseq.F... Compiling pre_rdsgm.F... Compiling pre_removw.F... Compiling pre_rename.F... Compiling pre_repeat.F... Compiling pre_rot.F... Compiling pre_rotate.F... Compiling pre_rstsiz.F... Compiling pre_rtdbin.F... pre_rtdbin.F:90:57: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 90 | if(.not.rtdb_get(irtdb,'prep:ifract',mt_int,nfract,ifract)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_rtdbin.F:96:57: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 96 | if(.not.rtdb_get(irtdb,'prep:icount',mt_int,ncount,icount)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_rtdbin.F:101:52: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 101 | if(.not.rtdb_get(irtdb,'prep:fcount',mt_dbl,1,fcount)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pre_rtdbin.F:106:57: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 106 | if(.not.rtdb_get(irtdb,'prep:iogrid',mt_int,nrgrid,iogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_rtdbin.F:108:59: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 108 | if(.not.rtdb_get(irtdb,'prep:rogrid',mt_int,2*nrgrid,rogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling pre_rtdbsq.F... Compiling pre_select.F... pre_select.F:45:40: 45 | call atom_selection(csa,isegm,nsa,card,int_mb(i_list)) | 1 Warning: Character length of actual argument shorter than of dummy argument 'target' (80/255) at (1) Compiling pre_seqsiz.F... Compiling pre_sgmfil.F... Compiling pre_sgmndx.F... Compiling pre_sgmnum.F... Compiling pre_sgmsiz.F... Compiling pre_short.F... Compiling pre_slvnum.F... Compiling pre_slvrd.F... Compiling pre_slvsiz.F... Compiling pre_solvat.F... Compiling pre_task.F... Compiling pre_term.F... Compiling pre_third.F... Compiling pre_toprd.F... Compiling pre_topsiz.F... Compiling pre_torang.F... Compiling pre_transl.F... Compiling pre_wrtnam.F... Compiling pre_wrtnoe.F... Compiling pre_wrtpdb.F... Compiling pre_wrtpmf.F... Compiling pre_wrtpov.F... Compiling pre_wrtrst.F... Compiling pre_wrtseq.F... Compiling pre_wrtsgm.F... Compiling pre_wrttop.F... Compiling pre_wrtxyz.F... Compiling pre_impctr.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/prepar' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/prepar' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libprepar.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libprepar.a prepar.o pre_admin.o pre_align.o pre_ang.o pre_atmscn.o pre_atnam.o pre_atnum.o pre_atom_index.o pre_atrad.o pre_atype.o pre_base.o pre_bnd.o pre_bonds.o pre_boxsiz.o pre_center.o pre_charge.o pre_check.o pre_collaps.o pre_crop.o pre_dih.o pre_dihimp.o pre_dihsel.o pre_dimens.o pre_disres.o pre_dummy.o pre_equiv.o pre_excl.o pre_ffield.o pre_fix.o pre_frgsiz.o pre_frgrd.o pre_gensgm.o pre_his.o pre_hnames.o pre_hybrid.o pre_imp.o pre_input.o pre_links.o pre_master.o pre_merge.o pre_misfit.o pre_mkfrg.o pre_mklist.o pre_mknoe.o pre_mkrst.o pre_mkseq.o pre_mksgm.o pre_mktop.o pre_modify.o pre_multip.o pre_namiup.o pre_natyps.o pre_nonbon.o pre_nucleic.o pre_orient.o pre_params.o pre_parcnv.o pre_paths.o pre_paths2.o pre_pdbseq.o pre_pdbsiz.o pre_protein.o pre_rdgeom.o pre_rdpdb.o pre_rstmod.o pre_rdrst.o pre_rdseq.o pre_rdsgm.o pre_removw.o pre_rename.o pre_repeat.o pre_rot.o pre_rotate.o pre_rstsiz.o pre_rtdbin.o pre_rtdbsq.o pre_select.o pre_seqsiz.o pre_sgmfil.o pre_sgmndx.o pre_sgmnum.o pre_sgmsiz.o pre_short.o pre_slvnum.o pre_slvrd.o pre_slvsiz.o pre_solvat.o pre_task.o pre_term.o pre_third.o pre_toprd.o pre_topsiz.o pre_torang.o pre_transl.o pre_wrtnam.o pre_wrtnoe.o pre_wrtpdb.o pre_wrtpmf.o pre_wrtpov.o pre_wrtrst.o pre_wrtseq.o pre_wrtsgm.o pre_wrttop.o pre_wrtxyz.o pre_impctr.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libprepar.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libprepar.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libprepar.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/prepar' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/prepar' Making libraries in esp make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/esp' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/esp' Compiling esp.F... Compiling esp_dalloc.F... Compiling esp_denmat.F... Compiling esp_elemom.F... Compiling esp_esp.F... Compiling esp_fastesp.F... Compiling esp_getden.F... Compiling esp_fit.F... Compiling esp_getg.F... Compiling esp_getx.F... Compiling esp_grdcnt.F... Compiling esp_grid.F... esp_grid.F:70:31: 29 | call ga_brdcst(mre_013,v,ngrid*ma_sizeof(mt_dbl,1,mt_byte),0) | 2 ...... 70 | call ga_brdcst(mre_001,ngrid,ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling esp_input.F... esp_input.F:441:53: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) | 2 ...... 441 | if(.not.rtdb_put(irtdb,'esp:radius',mt_dbl,107,radius)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) esp_input.F:444:51: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) | 2 ...... 444 | if(.not.rtdb_put(irtdb,'esp:nconst',mt_int,1,nconst)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). esp_input.F:451:54: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) | 2 ...... 451 | if(.not.rtdb_put(irtdb,'esp:rcon',mt_dbl,nconst,rcon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling esp_malloc.F... Compiling esp_matinv.F... Compiling esp_out.F... Compiling esp_plt.F... Compiling esp_rms.F... Compiling esp_rtdbin.F... esp_rtdbin.F:67:53: 62 | if(.not.rtdb_get(irtdb,'esp:probe',mt_dbl,1,probe)) probe=0.07d0 | 2 ...... 67 | if(.not.rtdb_get(irtdb,'esp:radius',mt_dbl,107,radius)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) esp_rtdbin.F:176:51: 62 | if(.not.rtdb_get(irtdb,'esp:probe',mt_dbl,1,probe)) probe=0.07d0 | 2 ...... 176 | if(.not.rtdb_get(irtdb,'esp:nconst',mt_int,1,nconst)) nconst=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). esp_rtdbin.F:182:54: 62 | if(.not.rtdb_get(irtdb,'esp:probe',mt_dbl,1,probe)) probe=0.07d0 | 2 ...... 182 | if(.not.rtdb_get(irtdb,'esp:rcon',mt_dbl,nconst,rcon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling esp_wrtinp.F... Compiling esp_jacobi.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/esp' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/esp' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libesp.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libesp.a esp.o esp_dalloc.o esp_denmat.o esp_elemom.o esp_esp.o esp_fastesp.o esp_getden.o esp_fit.o esp_getg.o esp_getx.o esp_grdcnt.o esp_grid.o esp_input.o esp_malloc.o esp_matinv.o esp_out.o esp_plt.o esp_rms.o esp_rtdbin.o esp_wrtinp.o esp_jacobi.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libesp.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libesp.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libesp.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/esp' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/esp' Making libraries in hessian make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/hessian' Compiling hess_blas.F... hess_blas.F:161:31: 79 | $ g_vecs, 1, nbf, 1, nocc, | 2 ...... 161 | $ g_dens, 1, nbf, 1, nocc, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hess_blas.F:183:31: 79 | $ g_vecs, 1, nbf, 1, nocc, | 2 ...... 183 | $ g_dens, 1, nbf, 1, nocc, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hess_input.F... hess_input.F:40:63: 32 | if (.not. rtdb_put(rtdb,'hess:pstat', MT_LOG, 1, .true.)) | 2 ...... 40 | if (.not. rtdb_put(rtdb, 'hessian:thresh', mt_dbl, 1, conv)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Making all in analytic make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/hessian/analytic' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/hessian/analytic' Making all in dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/hessian/analytic/dft' Compiling hess_anal.F... Compiling xc_d2expl.F... make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/hessian/analytic/dft' Compiling hess_init.F... hess_init.F:203:57: 170 | if (.not. rtdb_get(rtdb, 'scf:nclosed', MT_INT, 1, nclosed)) | 2 ...... 203 | if (.not. rtdb_get(rtdb, 'dft:cdfit', mt_log, 1, ocdfit)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hess_init.F:244:55: 170 | if (.not. rtdb_get(rtdb, 'scf:nclosed', MT_INT, 1, nclosed)) | 2 ...... 244 | if (.not. rtdb_get(rtdb, 'dft:noc', mt_int, 2, dftnoc)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hess_energyinit.F... hess_energyinit.F:63:60: 32 | $ call errquit('hess_energyinit: theory not specified',555, | 2 ...... 63 | $ call errquit('hess_energyinit: rtdb_put failed',ithresh, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hess_energyinit.F:112:9: 59 | if (rtdb_get(rtdb, 'hessian:thresh', MT_DBL,1, ithresh)) then | 2 ...... 112 | & itol2e)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). hess_energyinit.F:118:9: 62 | if (.not. rtdb_put(rtdb, 'scf:thresh', MT_DBL, 1, ithresh)) | 2 ...... 118 | & itol2e))call errquit('hessint:rtdbput failed',1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling hess_check.F... hess_check.F:53:57: 37 | if (.not. rtdb_get(rtdb, 'dyall_mod_dir', MT_LOG, 1, dmd_rel)) | 2 ...... 53 | if (.not. rtdb_get(rtdb, 'scf:nopen', MT_INT, 1, nopen)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling nucdd_cont.F... Compiling nucdd_calc.F... Compiling oned_calc.F... Compiling onedd_cont.F... Compiling xc_cpks_coeff.F... Compiling get_wdens.F... Compiling xc_exit_index.F... Compiling onedd_calc.F... Compiling xc_init_index.F... Compiling hess_dipder.F... Compiling xc_nucder_gen.F... xc_nucder_gen.F:26:43: 26 | , g_dens, nactive, oactive, hess, 0, 2) | 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-3 and scalar) xc_nucder_gen.F:53:38: 53 | , g_dens, nactive, oactive, 0d0, g_rhs, 3) | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-1 and scalar) Compiling twodd_cont.F... Compiling dft_3dacc.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/hessian/analytic/dft' Compiling twodd_coul_ex.F... make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/hessian/analytic/dft' Compiling shell_fock_build.F... shell_fock_build.F:851:26: 418 | call ga_igop(375,dorep_glob,1, '+') | 2 ...... 851 | call ga_igop(65331, cache_hitmiss, 12, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) shell_fock_build.F:1329:32: 626 | D d_ij,1,d_kl,1) | 2 ...... 1329 | call ycopy(nfock*idim, 0d0, 0,f_ij(1,1,j), 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling shell_fock_build_cam.F... Compiling hess_cphf.F... hess_cphf.F:1212:61: 1209 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 1212 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling hess_pxfy.F... Compiling hess_sxsy.F... Compiling sx_dra.F... sx_dra.F:105:51: 41 | call nga_copy_patch('N', g_sx, loa, hia, g_temp, lob, hib) | 2 ...... 105 | call nga_copy_patch('N', g_temp, lob, hib, g_sx, loa, hia) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libhessian.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libhessian.a xc_d2expl.o xc_cpks_coeff.o xc_exit_index.o xc_init_index.o xc_nucder_gen.o dft_3dacc.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libhessian.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libhessian.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libhessian.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/hessian/analytic/dft' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/hessian/analytic/dft' Compiling hess_wrt.F... Compiling hess_restart.F... Compiling hess_hssout.F... Compiling hess_print.F... Compiling hess_tidy.F... hess_tidy.F:77:59: 23 | * call errquit('hess_tidy: geom_destroy problem', 555, GEOM_ERR) | 2 ...... 77 | $ call errquit('hess_energytidy: rtdb_put failed',tthresh, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling uhf_fock_setup.F... Compiling uhf_fock_finish.F... Compiling print_dens_bit.F... Compiling shell_fock_build_ext.F... Compiling hess_utils.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/hessian/analytic' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/hessian/analytic' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libhessian.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libhessian.a hess_anal.o hess_init.o hess_energyinit.o hess_check.o nucdd_cont.o nucdd_calc.o oned_calc.o onedd_cont.o get_wdens.o onedd_calc.o hess_dipder.o twodd_cont.o twodd_coul_ex.o shell_fock_build.o shell_fock_build_cam.o hess_cphf.o hess_pxfy.o hess_sxsy.o sx_dra.o hess_wrt.o hess_restart.o hess_hssout.o hess_print.o hess_tidy.o uhf_fock_setup.o uhf_fock_finish.o print_dens_bit.o shell_fock_build_ext.o hess_utils.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libhessian.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libhessian.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/hessian/analytic' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/hessian/analytic' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/hessian' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libhessian.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libhessian.a hess_blas.o hess_input.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libhessian.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libhessian.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/hessian' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/hessian' Making libraries in selci make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/selci' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/selci' Compiling iprtri.F... Compiling prtri.F... Compiling selci_icopy.f... Compiling selci_yacobi.f... Compiling tred1.f... Compiling tqlrat.f... tqlrat.f:145:72: 145 | h = g * p / r | ^ Warning: 'b' may be used uninitialized [-Wmaybe-uninitialized] tqlrat.f:49:24: 49 | double precision b,c,f,g,h,p,r,s,t,selci_epslon,selci_pythag | ^ note: 'b' was declared here tqlrat.f:108:16: 108 | if (e2(m) .le. c) go to 120 | ^ Warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] tqlrat.f:49:26: 49 | double precision b,c,f,g,h,p,r,s,t,selci_epslon,selci_pythag | ^ note: 'c' was declared here Compiling loadw.F... Compiling rdhint.F... Compiling rdhcon.f... Compiling rdhwmt.f... Compiling rdconf.f... Compiling upkcon.F... Compiling prtcon.f... Compiling wrtcon.f... Compiling iodiff.F... Compiling bserch.F... Compiling readh.F... Compiling selci_renorm.f... Compiling selci_sread.f... Compiling selci_swrite.f... Compiling pkcon.F... Compiling wthcon.f... Compiling wtconf.f... Compiling vadd.f... Compiling idmin.f... Compiling isum.f... Compiling rd1.F... rd1.F:272:23: 189 | call ifill(nuw,0,u,1) | 2 ...... 272 | call ifill(nuw,0,u,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(2)/LOGICAL(1)). rd1.F:61:72: 61 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:61:72: 61 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to INTEGER(2) rd1.F:64:72: 64 | call selci_ulab8(buf(nipbuf+1),ibuf,2*num) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to LOGICAL(1) rd1.F:64:72: 64 | call selci_ulab8(buf(nipbuf+1),ibuf,2*num) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to LOGICAL(1) rd1.F:43:72: 43 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:43:72: 43 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to INTEGER(2) rd1.F:101:72: 101 | call selci_ulab16(buffer(lenbuf),info,4) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:101:72: 101 | call selci_ulab16(buffer(lenbuf),info,4) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to INTEGER(2) rd1.F:105:72: 105 | call selci_ulab8(buffer(n2eabf+1),ibuf,4*num) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to LOGICAL(1) rd1.F:105:72: 105 | call selci_ulab8(buffer(n2eabf+1),ibuf,4*num) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to LOGICAL(1) Compiling fcidim.F... Compiling axb.f... Compiling axbt.f... Compiling gettim.f... Compiling cputm.c... Compiling minit.F... Compiling mxmb.f... Compiling selci_check.f... Compiling davids.F... davids.F:185:26: 167 | call ga_brdcst(101, ci(1,1,nvec), mdtob(nroot*nci), 0) | 2 ...... 185 | call ga_brdcst(102, ndone, mitob(1), 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). davids.F:101:72: 101 | $ nroot, nci, noconf, nintpo, norbs, nbitpi, thresh) | 1 Warning: Type mismatch in argument 'indxci' at (1); passed REAL(8) to INTEGER(8) davids.F:101:72: 101 | $ nroot, nci, noconf, nintpo, norbs, nbitpi, thresh) | 1 Warning: Type mismatch in argument 'ioconf' at (1); passed REAL(8) to INTEGER(8) Compiling sigma.F... Compiling conf.F... conf.F:465:72: 465 | call selci_excit(irefo, q(ioccrf), q(ixstak)) | 1 Warning: Type mismatch in argument 'ioccrf' at (1); passed REAL(8) to INTEGER(8) conf.F:465:72: 465 | call selci_excit(irefo, q(ioccrf), q(ixstak)) | 1 Warning: Type mismatch in argument 'ixstak' at (1); passed REAL(8) to INTEGER(8) conf.F:171:54: 115 | if (.not. rtdb_get(rtdb,'selci:cckohn_ci',mt_log,1,cckohn_ci)) | 2 ...... 171 | if (.not. rtdb_get(rtdb,'scf:nopen', mt_int, 1, nopen)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). conf.F:56:72: 56 | call selci_start(rtdb, title, q(irefo)) | 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) conf.F:60:72: 60 | call selci_refgen(q, q(irefo),q(jrefo)) | 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) conf.F:60:72: 60 | call selci_refgen(q, q(irefo),q(jrefo)) | 1 Warning: Type mismatch in argument 'jrefo' at (1); passed REAL(8) to INTEGER(8) conf.F:65:72: 65 | call selci_chkci(q(irefo),q(indxci),wmatrx) | 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) conf.F:65:72: 65 | call selci_chkci(q(irefo),q(indxci),wmatrx) | 1 Warning: Type mismatch in argument 'indxci' at (1); passed REAL(8) to INTEGER(8) Compiling ci.F... Compiling initci.F... Compiling rdhead.F... Compiling load.F... Compiling loada.F... Compiling mkinta.F... Compiling pconls.F... Compiling makeh.F... Compiling mkindb.f... Compiling eij.F... Compiling eijeji.F... Compiling makehd.F... Compiling makef.F... Compiling loadg.F... Compiling getij.F... Compiling makehs.F... Compiling eirerj.F... Compiling loadab.F... Compiling couple.c... Compiling gtijkl.F... Compiling eijkj.F... Compiling makhdb.F... Compiling eijil.F... Compiling mknsneed.F... Compiling eijkl.F... Compiling putinb.F... Compiling inicij.F... Compiling ointer.F... Compiling oeq.f... Compiling selci_select.F... selci_select.F:45:24: 43 | call ga_brdcst(81,nconmx,mitob(1),0) | 2 44 | call ga_brdcst(9,iwpt,mitob(1),0) 45 | call ga_brdcst(10,repnuc,lencib,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). selci_select.F:122:25: 43 | call ga_brdcst(81,nconmx,mitob(1),0) | 2 ...... 122 | call ga_brdcst(191,map,mitob(norbs),0) ! sorted orbitals by occ | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling selci.F... selci.F:110:59: 76 | if (.not. rtdb_get(rtdb,'selci:cckohn_ci',mt_log,1,cckohn_ci)) | 2 ...... 110 | if (.not. rtdb_get(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). selci.F:186:64: 113 | if (.not. rtdb_put(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 2 ...... 186 | if (.not. rtdb_put(rtdb, 'selci:roots', mt_dbl, nroot, roots)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) selci.F:224:64: 113 | if (.not. rtdb_put(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 2 ...... 224 | if (.not. rtdb_put(rtdb, 'selci:roots', mt_dbl, nroot, roots)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) selci.F:228:29: 113 | if (.not. rtdb_put(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 2 ...... 228 | $ mt_dbl, nroot, rootspt)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ptidy.F... ptidy.F:46:22: 43 | call snd(21, noconf-ncold, mitob(1), node0, isync) | 2 ...... 46 | call snd(23, ept, mdtob(nroot), node0, isync) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ptidy.F:49:22: 43 | call snd(21, noconf-ncold, mitob(1), node0, isync) | 2 ...... 49 | call snd(26, irange, mitob(21), node0, isync) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ptidy.F:74:25: 64 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 74 | call rcv(23, eptn, mdtob(nroot), len, islave, node, isync) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ptidy.F:78:25: 64 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 78 | call rcv(26, irangen, mitob(21), len, islave, node, isync) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling anal.F... Compiling mkindx.F... Compiling slect.F... Compiling tester.F... Compiling mkdele.F... Compiling mkvc.F... Compiling e0mp2.F... Compiling mpdele.F... Compiling stool.F... stool.F:74:22: 71 | call snd(21, (noconf-ncold), mitob(1), node0, isync) | 2 ...... 74 | call snd(23, ept, mdtob(nroot), node0, isync) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). stool.F:77:22: 71 | call snd(21, (noconf-ncold), mitob(1), node0, isync) | 2 ...... 77 | call snd(26, irange, mitob(21), node0, isync) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) stool.F:100:25: 90 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 100 | call rcv(23, eptn, mdtob(nroot), len, islave, node, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). stool.F:106:25: 90 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 106 | call rcv(26, irangen, mitob(nrange), len, islave, node, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling restk.F... Compiling restin.F... Compiling orbanal.F... Compiling selci_hpp.F... Compiling mxma.f... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/selci' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/selci' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libselci.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libselci.a iprtri.o prtri.o selci_icopy.o selci_yacobi.o tred1.o tqlrat.o loadw.o rdhint.o rdhcon.o rdhwmt.o rdconf.o upkcon.o prtcon.o wrtcon.o iodiff.o bserch.o readh.o selci_renorm.o selci_sread.o selci_swrite.o pkcon.o wthcon.o wtconf.o vadd.o idmin.o isum.o rd1.o fcidim.o axb.o axbt.o gettim.o cputm.o minit.o mxmb.o selci_check.o davids.o sigma.o conf.o ci.o initci.o rdhead.o load.o loada.o mkinta.o pconls.o makeh.o mkindb.o eij.o eijeji.o makehd.o makef.o loadg.o getij.o makehs.o eirerj.o loadab.o couple.o gtijkl.o eijkj.o makhdb.o eijil.o mknsneed.o eijkl.o putinb.o inicij.o ointer.o oeq.o selci_select.o selci.o ptidy.o anal.o mkindx.o slect.o tester.o mkdele.o mkvc.o e0mp2.o mpdele.o stool.o restk.o restin.o orbanal.o selci_hpp.o mxma.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libselci.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libselci.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libselci.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/selci' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/selci' Making libraries in dplot make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dplot' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dplot' Compiling dplot.F... dplot.F:107:52: 87 | & lgaussian)) then | 2 ...... 107 | If (.not.rtdb_get(rtdb,'dplot:iroot',mt_int,1,iroot)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling get_grid.F... dplot.F:448:72: 448 | Call ycopy(3*nAtom,Dbl_mb(k_xyz),1,Dbl_mb(k_Grid+3*Atom_Off),1) | ^ Warning: 'atom_off' may be used uninitialized [-Wmaybe-uninitialized] dplot.F:44:61: 44 | Integer nGrid,k_Grid,l_Grid,nPoint,nAtom,iAtom,Atom_Off | ^ note: 'atom_off' was declared here Compiling create_contour.F... Compiling dmat.F... Compiling errmem.F... Compiling get_dens.F... Compiling dplot_input.F... dplot_input.F:299:58: 295 | & lgaussian)) call errquit('dpinput:rtdbwr failed',11,0) | 2 ...... 299 | If (.not.rtdb_put(rtdb,'dplot:Ext_From_To',mt_dbl,6,Ext_From_To)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling get_charges.F... Compiling dplot_defgrid.F... Compiling dplot_dump.F... Compiling dplot_dos.F... dplot_dos.F:86:11: 84 | & 1,nstep)) nstep=1000 | 2 85 | if (.not.rtdb_get(rtdb,'dplot:dos_sigma',mt_dbl, 86 | & 1,sigma)) sigma=0.025d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ao_rdm_read.F... ao_rdm_read.F:123:72: 123 | return | ^ Warning: '__result_ao_rdm_read' may be used uninitialized [-Wmaybe-uninitialized] ao_rdm_read.F:1:34: 1 | logical function ao_rdm_read(filename,basis, g_dens) | ^ note: '__result_ao_rdm_read' was declared here Compiling get_transden.F... get_transden.F:104:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 104 | call ga_brdcst(Msg_Vec_NMO+MSGINT, tda, logisize, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). get_transden.F:107:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 107 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nocc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:108:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 108 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nmo, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:109:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 109 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:110:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 110 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfv, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:111:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 111 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nov, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling get_diffden.F... get_diffden.F:104:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 104 | call ga_brdcst(Msg_Vec_NMO+MSGINT, tda, logisize, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). get_diffden.F:107:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 107 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nocc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:108:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 108 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nmo, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:109:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 109 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:110:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 110 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfv, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:111:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 111 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nov, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dplot' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dplot' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdplot.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdplot.a dplot.o get_grid.o create_contour.o dmat.o errmem.o get_dens.o dplot_input.o get_charges.o dplot_defgrid.o dplot_dump.o dplot_dos.o ao_rdm_read.o get_transden.o get_diffden.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdplot.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdplot.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdplot.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dplot' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dplot' Making libraries in mp2_grad make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mp2_grad' Compiling mp2_grad.F... mp2_grad.F:44:54: 37 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 44 | if (.not. rtdb_get(rtdb,'dft:e_conv',mt_dbl,1,threshscf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mp2_energy.F... mp2_energy.F:153:11: 96 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 153 | $ nva_frozen)) nva_frozen = 0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). mp2_energy.F:645:47: 372 | $ noa_frozen,1) | 2 ...... 645 | call ecce_print1('total energy', mt_dbl, e_total, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). mp2_energy.F:647:63: 148 | $ noa_frozen)) | 2 ...... 647 | if(.not. rtdb_put(rtdb,'mp2:correlation energy',mt_dbl,1,e2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling mp2_grad_doit.F... mp2_grad_doit.F:179:51: 143 | if(rtdb_get(rtdb,'mp2:scratchdisk',mt_dbl,1,avail_file)) then | 2 ...... 179 | if(.not.rtdb_get(rtdb,'mp2:npasses',mt_int,1,npass_first)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling mp2_make_cphf_rhs.F... Compiling mp2_make_tot_dens.F... Compiling mp2_make_tot_wdens.F... Compiling mp2_make_dip_mom.F... Compiling mp2_pstat.F... Compiling mp2_input.F... mp2_input.F:126:56: 48 | if (.not. rtdb_put(rtdb, 'mp2:aotol2e', mt_dbl, 1, aotol2e)) | 2 ...... 126 | if (.not. rtdb_put(rtdb, 'mp2:scs', mt_log, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling mp2_make_piy.F... Compiling mp2_make_nos.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mp2_grad' Compiling mp2_back_transform.F... Compiling mp2_read_tiajb.F... mp2_back_transform.F:377:55: 374 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 377 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mp2_pijab_uhf.F... mp2_pijab_uhf.F:109:55: 106 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 109 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mp2_wijab_uhf.F... mp2_wijab_uhf.F:102:55: 99 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 102 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mp2_lai_uhf.F... mp2_lai_uhf.F:84:55: 81 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 84 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mp2_lai_fock_uhf.F... Compiling mp2_memory.F... mp2_memory.F:242:24: 79 | call ga_igop(543, nnbf_sparse, 1, '+') | 2 ...... 242 | call ga_igop(542, max_file, 1, 'max') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling mp2_make_tuhf.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mp2_grad' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mp2_grad' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libmp2.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libmp2.a mp2_grad.o mp2_energy.o mp2_grad_doit.o mp2_make_cphf_rhs.o mp2_make_tot_dens.o mp2_make_tot_wdens.o mp2_make_dip_mom.o mp2_pstat.o mp2_input.o mp2_make_piy.o mp2_make_nos.o mp2_back_transform.o mp2_read_tiajb.o mp2_pijab_uhf.o mp2_wijab_uhf.o mp2_lai_uhf.o mp2_lai_fock_uhf.o mp2_memory.o mp2_make_tuhf.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libmp2.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libmp2.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libmp2.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mp2_grad' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mp2_grad' Making libraries in qhop make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/qhop' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/qhop' Compiling qhop_setup.F... qhop_setup.F:357:39-48: 357 | read(lfnhdb,1005) (zpef(numpar+1,i),i=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_setup.F:434:32-41: 434 | write(lfntop,1005)(zpef(i,m),m=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) Compiling qhop_asite.F... Compiling qhop_dsite.F... Compiling qhop_prob.F... Compiling qhop_init.F... qhop_init.F:185:35-44: 185 | read(lfntop,1005) (zpef(ipar,i),i=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_init.F:197:35-44: 197 | write(lfnout,1005)(zpef(ipar,i),i=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_init.F:88:28: 45 | call ga_brdcst(hop_01,idata,9*numbi,0) | 2 ...... 88 | call ga_brdcst(hop_06,dbl_mb(i_racs),2*mxar*numbd,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qhop_pindex.F... Compiling qhop_final.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/qhop' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/qhop' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libqhop.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libqhop.a qhop_setup.o qhop_asite.o qhop_dsite.o qhop_prob.o qhop_init.o qhop_pindex.o qhop_final.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libqhop.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libqhop.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libqhop.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/qhop' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/qhop' Making libraries in property make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/property' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/property' Compiling hnd_efgmap.F... hnd_efgmap.F:115:15: 99 | if (rtdb_get(rtdb,'cosmo:nefc',mt_int,1,ncosbq).and.(ncosbq.gt.0)) | 2 ...... 115 | & dbl_mb(k_efcc))) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hnd_efgmap.F:250:49: 248 | call ecce_print1('EFG eigenvalues',MT_DBL,eig,3) | 2 249 | call ecce_print2('EFG eigenvectors',MT_DBL,vec,3,3,3) 250 | call ecce_print1('EFG asymmetry',MT_DBL,eta,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_efgmap.F:39:19: 39 | integer i_cbq | ^ Warning: 'i_cbq' may be used uninitialized [-Wmaybe-uninitialized] hnd_efgmap.F:40:19: 40 | integer i_qbq | ^ Warning: 'i_qbq' may be used uninitialized [-Wmaybe-uninitialized] Compiling hnd_efgmap_z4.F... Compiling hnd_elfmap.F... hnd_elfmap.F:140:35: 57 | if(.not.rtdb_get(rtdb,'bqforceprint',mt_log,1,bqprint)) | 2 ...... 140 | > 3*nprp,dbl_mb(i_prp_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). hnd_elfmap.F:275:44: 274 | call ecce_print1('EField components',MT_DBL,elf,3) | 2 275 | call ecce_print1('EField',MT_DBL,elfld,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_efgmap_z4.F:941:33: 780 | call ga_get(g_Nuc,1,1,ind,ind,valNuc,1) | 2 ...... 941 | call ga_get(g_a,i,i,i,i,val,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_efgmap_z4.F:947:33: 780 | call ga_get(g_Nuc,1,1,ind,ind,valNuc,1) | 2 ...... 947 | call ga_get(g_a,i,i,j,j,val,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_efgmap_z4.F:1067:44: 660 | if (.not. rtdb_get(rtdb, 'dft:ipol',mt_int,1,ipolmunu)) | 2 ...... 1067 | & mt_int,nat_slc,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_efgmap_z4.F:316:15: 316 | & dbl_mb(k_efcc))) call | 1 ...... 660 | if (.not. rtdb_get(rtdb, 'dft:ipol',mt_int,1,ipolmunu)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hnd_efgmap_z4.F:478:49: 476 | call ecce_print1('EFG eigenvalues',MT_DBL,eig,3) | 2 477 | call ecce_print2('EFG eigenvectors',MT_DBL,vec,3,3,3) 478 | call ecce_print1('EFG asymmetry',MT_DBL,eta,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling hnd_elpmap.F... hnd_elpmap.F:147:35: 125 | if(.not.rtdb_get(rtdb,'prop:cubefile',mt_log,1,ocube)) | 2 ...... 147 | > 3*nprp,dbl_mb(i_prp_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling hnd_eldmap.F... Compiling hnd_elpiso.F... hnd_efgmap_z4.F:50:28: 50 | integer bq_ncent,i_cbq,i_qbq | ^ Warning: 'i_cbq' may be used uninitialized [-Wmaybe-uninitialized] hnd_efgmap_z4.F:50:34: 50 | integer bq_ncent,i_cbq,i_qbq | ^ Warning: 'i_qbq' may be used uninitialized [-Wmaybe-uninitialized] Compiling hnd_spind.F... hnd_spind.F:214:59: 136 | call ecce_print1('fermi contact',MT_DBL,aiso,1) | 2 ...... 214 | call ecce_print1('spin-dipole eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hnd_elfcon.F... Compiling hnd_elfcon_symm.F... Compiling hnd_mtpcon.F... Compiling hnd_mtpole.F... hnd_mtpole.F:485:60: 481 | if (.not. rtdb_get(rtdb, 'prop:center', mt_int, 1, i_expan)) | 2 ...... 485 | if (.not. rtdb_get(rtdb, 'prop:center_val',mt_dbl,3,cm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hnd_mtpole.F:938:72: 938 | do i = 1, ndens | ^ Warning: 'ndens' is used uninitialized [-Wuninitialized] hnd_mtpole.F:783:29: 783 | integer g_dens(3),ndens,nclosed(2),nopen(2),nvirt(2) | ^ note: 'ndens' was declared here Compiling prop_input.F... prop_input.F:886:43: 868 | if(.not.rtdb_put(rtdb,tag,mt_log,1,.true.)) | 2 ...... 886 | if(.not.rtdb_put(rtdb,tag,mt_dbl,1,f3)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). prop_input.F:419:26: 419 | if (inp_f(iso)) then | 1 ...... 876 | if(.not.inp_f(f3(i))) exit | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling prop.F... prop.F:59:48: 48 | if (.not.rtdb_get(rtdb,'prop:do_fockbuild',MT_LOG,1,do_fockbuild)) | 2 ...... 59 | if (rtdb_get(rtdb,'prop:nbofile',MT_INT,1,nbofile)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling prp.F... Compiling hnd_mulken.F... Compiling wnbofile.F... Compiling wefgfile.F... Compiling whypfile.F... Compiling wgshiftfile.F... whypfile.F:302:72: 302 | open (lfn, file=fname_hyp, status='unknown') | ^ Warning: 'lfn' may be used uninitialized [-Wmaybe-uninitialized] whypfile.F:82:17: 82 | integer lfn | ^ note: 'lfn' was declared here wgshiftfile.F:316:72: 316 | open (lfn, file=fname_gshift, status='unknown') | ^ Warning: 'lfn' may be used uninitialized [-Wmaybe-uninitialized] wgshiftfile.F:85:17: 85 | integer lfn | ^ note: 'lfn' was declared here Compiling wshldfile.F... Compiling hnd_prp_get_dens.F... wshldfile.F:296:72: 296 | open (lfn, file=fname_shield, status='unknown') | ^ Warning: 'lfn' may be used uninitialized [-Wmaybe-uninitialized] wshldfile.F:73:17: 73 | integer lfn | ^ note: 'lfn' was declared here Compiling hnd_prp_vec_read.F... Compiling hnd_prop_dens_make.F... Compiling hnd_property.F... hnd_property.F:96:50: 83 | if (.not. rtdb_get(rtdb, 'prop:nocheck',mt_log, 1, nocheck)) then | 2 ...... 96 | status=rtdb_get(rtdb,'prop:gshift',MT_INT,1,gshift) ! FA-09-16-10 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). hnd_property.F:188:13: 182 | & job_grid_acc))call errquit('hnd_property:rtdbput failed', | 2 ...... 188 | & .false.)) call errquit('hnd_property:rtdbput failed',2, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling giaofock.F... Compiling hnd_giaox.F... hnd_giaox.F:287:64: 284 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 287 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). hnd_giaox.F:832:60: 830 | call ecce_print1('shielding isotropic',MT_DBL,isotr,1) | 2 831 | call ecce_print1('shielding anisotropy',MT_DBL,aniso,1) 832 | call ecce_print1('shielding eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) giaofock.F:930:72: 930 | g_dens=g_dens0 | ^ Warning: 'g_dens0' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:776:31: 776 | integer g_densrep,g_dens0,g_fockrep,g_fock0,dorep_glob | ^ note: 'g_dens0' was declared here Compiling hnd_hyperfine_zora.F... giaofock.F:930:72: 930 | g_dens=g_dens0 | ^ Warning: 'g_dens0' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:776:31: 776 | integer g_densrep,g_dens0,g_fockrep,g_fock0,dorep_glob | ^ note: 'g_dens0' was declared here giaofock.F:151:72: 151 | cam_beta1 =factor_cam*cam_beta | ^ Warning: 'factor_cam' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:42:33: 42 | double precision factor_cam,cam_alpha1,cam_beta1 | ^ note: 'factor_cam' was declared here giaofock.F:127:72: 127 | $ ngint, dbl_mb(k_eri), tol2e, nshell, blen, 1.d0, 0.d0) ! get full coulomb | ^ Warning: 'ntot' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:23:23: 23 | integer npol,ntot | ^ note: 'ntot' was declared here Compiling hnd_gshift_zora.F... giaofock.F:503:72: 503 | cam_beta1 =factor_cam*cam_beta | ^ Warning: 'factor_cam' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:388:44: 388 | & cam_alpha1,cam_beta1,factor_cam | ^ note: 'factor_cam' was declared here giaofock.F:478:72: 478 | $ ngint, dbl_mb(k_eri), tol2e, nshell, blen, 1.d0, 0.d0) ! get full coulomb | ^ Warning: 'ntot' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:366:23: 366 | integer npol,ntot | ^ note: 'ntot' was declared here hnd_hyperfine_zora.F:307:32: 121 | status=rtdb_get(rtdb,'prop:hypfile',mt_int,1,hypfile) ! for NLMO analysis | 2 ...... 307 | & mt_log,1,skip_cphf_ev_hyp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_hyperfine_zora.F:324:55: 230 | & MT_INT, 1, nocc(1)-nocc(2))) | 2 ...... 324 | if (.not. rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.false.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_hyperfine_zora.F:591:60: 589 | call ecce_print1('hyperfine isotropic',MT_DBL,isotr,1) | 2 590 | call ecce_print1('hyperfine anisotropy',MT_DBL,aniso,1) 591 | call ecce_print1('hyperfine eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hnd_giaox_zora.F... Compiling int_giao_1ega.F... hnd_giaox_zora.F:352:60: 256 | & MT_INT, 1, nocc(1)-nocc(2))) | 2 ...... 352 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_giaox_zora.F:681:32: 224 | if (.not. rtdb_get(rtdb, 'dft:ipol', mt_int, 1, npol)) then | 2 ...... 681 | & mt_log,1,skip_cphf_ev_shield)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_giaox_zora.F:1072:61: 1070 | call ecce_print1('shielding isotropic' ,MT_DBL,isotr,1) | 2 1071 | call ecce_print1('shielding anisotropy' ,MT_DBL,aniso,1) 1072 | call ecce_print1('shielding eigenvalues' ,MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) int_giao_1ega.F:155:10: 155 | if (type.lt.9) then | ^ Warning: 'type' may be used uninitialized [-Wmaybe-uninitialized] int_giao_1ega.F:42:18: 42 | integer type | ^ note: 'type' declared here int_giao_1ega.F:171:72: 171 | max1e = max1e*nblocks | ^ Warning: 'nblocks' may be used uninitialized [-Wmaybe-uninitialized] int_giao_1ega.F:45:21: 45 | integer nblocks | ^ note: 'nblocks' was declared here Compiling giao_aotomo.F... hnd_hyperfine_zora.F:213:10: 213 | if (ac_occ(1) .ne. ac_occ(2)) then | ^ Warning: 'ac_occ' may be used uninitialized [-Wmaybe-uninitialized] hnd_hyperfine_zora.F:49:46: 49 | double precision val1,coeffpol,ac_occ(2),small,trace, | ^ note: 'ac_occ' declared here hnd_hyperfine_zora.F:213:10: 213 | if (ac_occ(1) .ne. ac_occ(2)) then | ^ Warning: 'ac_occ' may be used uninitialized [-Wmaybe-uninitialized] hnd_hyperfine_zora.F:49:46: 49 | double precision val1,coeffpol,ac_occ(2),small,trace, | ^ note: 'ac_occ' declared here hnd_hyperfine_zora.F:569:43: 569 | & skew*conv2MHz, | ^ Warning: 'conv2mhz' may be used uninitialized [-Wmaybe-uninitialized] hnd_hyperfine_zora.F:37:52: 37 | double precision a(6),axs(3,3),eig(3),conv2MHz | ^ note: 'conv2mhz' was declared here hnd_gshift_zora.F:2750:57: 2744 | & mt_log,1,skip_csAOev)) | 2 ...... 2750 | status=rtdb_get(rtdb,'prop:shldfile' ,mt_int,1,shldfile) ! for NLMO analysis | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). hnd_gshift_zora.F:4308:19: 3123 | & vectors, ! in: MOs | 2 ...... 4308 | & g_dens))! in: dummy not used here | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_gshift_zora.F:4337:18: 3157 | & vectors, ! in: MOs | 2 ...... 4337 | & g_sdens))! in: dummy not used here | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_gshift_zora.F:2151:24: 2151 | call ga_print(vectors) | 1 ...... 5992 | call ga_print(g_munuEPRdia) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_gshift_zora.F:353:60: 267 | & MT_INT, 1, nocc(1)-nocc(2))) | 2 ...... 353 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_gshift_zora.F:1141:59: 1139 | call ecce_print1('g-shifts isotropic',MT_DBL,isotr,1) | 2 1140 | call ecce_print1('g-shifts anisotropy',MT_DBL,aniso,1) 1141 | call ecce_print1('g-shifts eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hnd_diag.F... Compiling hnd_spinspin.F... hnd_spinspin.F:299:54: 291 | call ecce_print1('index atom one',MT_INT,i,1) | 2 ...... 299 | call ecce_print1('spinspin isotropic',MT_DBL,isotr,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling hnd_sdfc.F... Compiling hnd_psoten.F... Compiling hnd_dsoten.F... Compiling prop_atom.F... hnd_gshift_zora.F:5203:72: 5203 | par_arr(8,iy,ix)=val_ov_1e*coeffpol*ppt*(-0.25d0) | ^ Warning: 'val_ov_1e' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:5075:32: 5075 | & val_ov_1e,val_ov_eSji | ^ note: 'val_ov_1e' was declared here hnd_gshift_zora.F:5200:72: 5200 | par_arr(5,iy,ix)=val_ov_Coul*coeffpol*ppt*(-0.25d0) | ^ Warning: 'val_ov_coul' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:5074:34: 5074 | double precision val_ov_Coul,val_ov_Exch,val_ov_noJK, | ^ note: 'val_ov_coul' was declared here hnd_gshift_zora.F:5204:72: 5204 | par_arr(9,iy,ix)=val_ov_eSji*coeffpol*ppt*(-0.25d0) | ^ Warning: 'val_ov_esji' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:5075:44: 5075 | & val_ov_1e,val_ov_eSji | ^ note: 'val_ov_esji' was declared here hnd_gshift_zora.F:5201:72: 5201 | par_arr(6,iy,ix)=val_ov_Exch*coeffpol*ppt*(-0.25d0) | ^ Warning: 'val_ov_exch' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:5074:46: 5074 | double precision val_ov_Coul,val_ov_Exch,val_ov_noJK, | ^ note: 'val_ov_exch' was declared here hnd_gshift_zora.F:5202:72: 5202 | par_arr(7,iy,ix)=val_ov_noJK*coeffpol*ppt*(-0.25d0) | ^ Warning: 'val_ov_nojk' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:5074:58: 5074 | double precision val_ov_Coul,val_ov_Exch,val_ov_noJK, | ^ note: 'val_ov_nojk' was declared here hnd_gshift_zora.F:2125:72: 2125 | & natoms,oskel) | ^ Warning: 'k_xyz' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:2058:25: 2058 | & l_xyz,k_xyz ! dummy variables | ^ note: 'k_xyz' was declared here Compiling aoresponse_driver.F... hnd_gshift_zora.F:4939:72: 4939 | & natoms,oskel) | ^ Warning: 'k_xyz' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:4881:25: 4881 | & l_xyz,k_xyz ! dummy variables | ^ note: 'k_xyz' was declared here aoresponse_driver.F:215:21: 179 | if (.not.rtdb_get(rtdb, 'aoresponse:velocity', mt_int, 1,ntmp)) | 2 ...... 215 | & mt_dbl, 1,gamwidth)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). aoresponse_driver.F:942:26: 704 | if (.not.ga_destroy(g_temp)) call | 2 ...... 942 | if (.not.ga_destroy(g_vectors)) call | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling aoresponse_driver_new.F... aoresponse_driver_new.F:256:21: 215 | if (.not.rtdb_get(rtdb, 'aoresponse:velocity', mt_int, 1,ntmp)) | 2 ...... 256 | & mt_dbl, 1,gamwidth)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling int_mpole_1ega.F... Compiling aoresponse.F... aoresponse.F:636:58: 624 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.false.)) call | 2 ...... 636 | if (.not. rtdb_put(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling aoresponse_beta.F... aoresponse_beta.F:568:58: 560 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.true.)) call | 2 ...... 568 | if (.not. rtdb_put(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling aor_write_roadata.F... Compiling aoresponse_beta2.F... aoresponse_beta2.F:452:58: 444 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.true.)) call | 2 ...... 452 | if (.not. rtdb_put(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling fiao_f1_movecs.F... fiao_f1_movecs.F:333:56: 290 | & mt_int, 1,index4cphf)) call | 2 ...... 333 | if (.not. rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.false.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling aor_r1_tensor.F... Compiling aor_r1_tensor_giao.F... aor_r1_tensor.F:391:72: 391 | & g_temp) ! in : scratch GA array | ^ Warning: 'coeffim' may be used uninitialized [-Wmaybe-uninitialized] aor_r1_tensor.F:128:52: 128 | double precision ga_trace_diag,coeffre,coeffim | ^ note: 'coeffim' was declared here Compiling aor_r1_beta.F... Compiling aor_r1_beta_anl.F... Compiling giao_b1_movecs.F... giao_b1_movecs.F:355:26: 217 | & mt_int, 1,ndata)) call | 2 ...... 355 | & mt_log, 1,.true.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling fiao_b1_movecs.F... fiao_b1_movecs.F:217:26: 159 | & mt_int, 1,ndata)) call | 2 ...... 217 | & mt_log, 1,.true.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling get_vecB1.F... Compiling get_vecF1.F... Compiling aor_get_fiaoints.F... Compiling aor_get_giaoints.F... aor_get_giaoints.F:269:61: 264 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 269 | if (.not. rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,ifld)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling aoresponse_giao_rhs.F... aoresponse_giao_rhs.F:294:64: 291 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 294 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling get_alfaorbeta_reim.F... Compiling CalcPerturbedTDPmat1.F... get_alfaorbeta_reim.F:405:72: 405 | ahi(3) = ind1 | ^ Warning: 'ind1' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:367:25: 367 | & caseAO,ind1,ind2 | ^ note: 'ind1' was declared here get_alfaorbeta_reim.F:411:72: 411 | bhi(3) = ind2 | ^ Warning: 'ind2' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:367:30: 367 | & caseAO,ind1,ind2 | ^ note: 'ind2' was declared here get_alfaorbeta_reim.F:241:72: 241 | ahi(3) = ind1 | ^ Warning: 'ind1' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:206:25: 206 | & caseAO,ind1,ind2 | ^ note: 'ind1' was declared here get_alfaorbeta_reim.F:247:72: 247 | bhi(3) = ind2 | ^ Warning: 'ind2' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:206:30: 206 | & caseAO,ind1,ind2 | ^ note: 'ind2' was declared here Compiling CalcPerturbedTDPmat1_opt.F... Compiling localization_driver.F... localization_driver.F:422:53: 271 | $ 1.0d0, g_smat, g_movecs(1), 0.0d0, g_sc) | 2 ...... 422 | call ga_dgemm('t','n',nmo,nmo,nbf, 1.0d0, g_movecs, g_uc(i), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localization_driver.F:468:53: 271 | $ 1.0d0, g_smat, g_movecs(1), 0.0d0, g_sc) | 2 ...... 468 | call ga_dgemm('t','n',nmo,nmo,nbf, 1.0d0, g_movecs,g_uc(i), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ibo_localization.F... Compiling hnd_vec_write.F... ibo_localization.F:638:9: 638 | if(noff+n1 > nbf) call errquit (pname// | ^ Warning: 'noff' may be used uninitialized [-Wmaybe-uninitialized] ibo_localization.F:66:33: 66 | integer n1, n2, nsing, noff | ^ note: 'noff' declared here ibo_localization.F:638:9: 638 | if(noff+n1 > nbf) call errquit (pname// | ^ Warning: 'n1' may be used uninitialized [-Wmaybe-uninitialized] ibo_localization.F:66:16: 66 | integer n1, n2, nsing, noff | ^ note: 'n1' declared here ibo_localization.F:648:72: 648 | do jmo = 1,n2 | ^ Warning: 'n2' may be used uninitialized [-Wmaybe-uninitialized] ibo_localization.F:66:20: 66 | integer n1, n2, nsing, noff | ^ note: 'n2' declared here Compiling giao_b1_movecs_tools.F... Compiling aor_r1_beta_anl_tools.F... giao_b1_movecs_tools.F:78:60: 78 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .false.)) | 1 ...... 758 | $ calc_type_save)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling task_raman.F... Compiling raman_input.F... raman_input.F:93:58: 71 | if (.not.rtdb_put(rtdb, 'prop:newaoresp', mt_int, 1,1)) | 2 ...... 93 | if (.not.rtdb_put(rtdb,'raman:hyperraman',mt_log,1,hyperraman)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). task_raman.F:525:51: 487 | & rmmodes*4, rminfo(1,1))) | 2 ...... 525 | status=rtdb_get(rtdb,'raman:aores0',mt_log,1,ramanspc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_raman.F:1268:14: 718 | if (.not. rtdb_put(rtdb,'raman:aores1',mt_int, 1,ii)) call ! FA-06-18-12 | 2 ...... 1268 | $ gamwidth_in)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling raman.F... Compiling waimfile.F... waimfile.F:618:61: 335 | if (.not. rtdb_get(rtdb, 'prop:nowfx',mt_log, 1, nowfx)) | 2 ...... 618 | $ , MT_DBL,1,etot)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). raman.F:576:61: 375 | if (.not. rtdb_get(rtdb, 'raman:numpts ', mt_int,1 , numpts)) | 2 ...... 576 | if (.not. rtdb_get(rtdb, 'raman:alfare ', mt_dbl, 9, alfare)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). raman.F:1160:31: 741 | 10 call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) ! Propagate status | 2 ...... 1160 | call ga_brdcst(msg_frq,dbl_mb(k_scr), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling hnd_eldmap_grid.F... hnd_eldmap_grid.F:111:35: 94 | if(.not.rtdb_get(rtdb,'prop:cubefile',mt_log,1,ocube)) | 2 ...... 111 | > 3*nprp,dbl_mb(i_prp_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling prop_moldenfile.F... Compiling prop_grid.F... Compiling prop_polfromsos.F... prop_grid.F:38:55: 27 | if(.not.rtdb_get(rtdb,'prop:grid:pad',MT_DBL,3,pad)) then | 2 ...... 38 | if(.not.rtdb_get(rtdb,'prop:grid:ngrid',MT_INT,3,ngrid)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/property' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/property' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libproperty.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libproperty.a hnd_efgmap.o hnd_efgmap_z4.o hnd_elfmap.o hnd_elpmap.o hnd_eldmap.o hnd_elpiso.o hnd_spind.o hnd_elfcon.o hnd_elfcon_symm.o hnd_mtpcon.o hnd_mtpole.o prop_input.o prop.o prp.o hnd_mulken.o wnbofile.o wefgfile.o whypfile.o wgshiftfile.o wshldfile.o hnd_prp_get_dens.o hnd_prp_vec_read.o hnd_prop_dens_make.o hnd_property.o giaofock.o hnd_giaox.o hnd_hyperfine_zora.o hnd_gshift_zora.o hnd_giaox_zora.o int_giao_1ega.o giao_aotomo.o hnd_diag.o hnd_spinspin.o hnd_sdfc.o hnd_psoten.o hnd_dsoten.o prop_atom.o aoresponse_driver.o aoresponse_driver_new.o int_mpole_1ega.o aoresponse.o aoresponse_beta.o aor_write_roadata.o aoresponse_beta2.o fiao_f1_movecs.o aor_r1_tensor.o aor_r1_tensor_giao.o aor_r1_beta.o aor_r1_beta_anl.o giao_b1_movecs.o fiao_b1_movecs.o get_vecB1.o get_vecF1.o aor_get_fiaoints.o aor_get_giaoints.o aoresponse_giao_rhs.o get_alfaorbeta_reim.o CalcPerturbedTDPmat1.o CalcPerturbedTDPmat1_opt.o localization_driver.o ibo_localization.o hnd_vec_write.o giao_b1_movecs_tools.o aor_r1_beta_anl_tools.o task_raman.o raman_input.o raman.o waimfile.o hnd_eldmap_grid.o prop_moldenfile.o prop_grid.o prop_polfromsos.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libproperty.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libproperty.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libproperty.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/property' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/property' Making libraries in solvation make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/solvation' Compiling mnsol_mem.F... Compiling mnsol_interface.F... mnsol_interface.F:62:58: 54 | if (.not. rtdb_put(rtdb,'cosmo:gcds',mt_dbl,1,gcds)) | 2 ...... 62 | if (.not. rtdb_put(rtdb, 'cosmo:dcds', mt_dbl,3*nat,dcds)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling mnsol.F... mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'nc' at (1); passed REAL(8) to INTEGER(8) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'lab' at (1); passed REAL(8) to INTEGER(8) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'ncnct' at (1); passed REAL(8) to INTEGER(8) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'conect' at (1); passed REAL(8) to LOGICAL(8) mnsol.F:1436:31: 1436 | IF (LGRX) CALL SCOPYMN(3,0D0,0,DAREA(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1562:42: 1562 | IF (LGRX) CALL SCOPYMN(3*(NCROSS+1),0D0,0,DCASLC(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1785:43: 1785 | IF (LGRX) CALL SCOPYMN (3*(NCROSS+1),0D0,0,DCAPLY(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1788:43: 1788 | IF (LGRX) CALL SCOPYMN (3*(NCROSS+1),0D0,0,DCAODD(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:56:19: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'c' at (1) (rank-2 and scalar) mnsol.F:56:21: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'dcds' at (1) (rank-2 and scalar) mnsol.F:56:26: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'ian' at (1) (rank-1 and scalar) mnsol.F:56:52: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'x' at (1) (rank-1 and scalar) Compiling solv_data.F... Compiling cosmo_smd_output.F... Compiling cosmo_vem_output.F... Compiling cosmo_lebedev.F... Compiling cosmo_fibonacci.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/solvation' Compiling cosmo_input.F... cosmo_input.F:181:51: 177 | $ rtdb_put(rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 181 | $ rtdb_put(rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cosmo_initialize.F... cosmo_initialize.F:165:34: 163 | call ga_brdcst(msg_cosmo0,nmap, | 2 164 | > ma_sizeof(mt_int,1,mt_byte),0) 165 | call ga_brdcst(msg_cosmo1,crad, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cosmo_initialize.F:278:41: 255 | if(.not.rtdb_get(rtdb,'cosmo:dielec',mt_dbl,1,dielec)) | 2 ...... 278 | O 'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). cosmo_initialize.F:390:52: 171 | if(.not.rtdb_put(rtdb,'cosmo:crad',mt_dbl, nmap,crad(1))) | 2 ...... 390 | if (.not. rtdb_put(rtdb,'cosmo:icds',mt_int,1,icds)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cosmo_initialize.F:475:54: 255 | if(.not.rtdb_get(rtdb,'cosmo:dielec',mt_dbl,1,dielec)) | 2 ...... 475 | $ rtdb_get(rtdb,'cosmo:pol_cosmo_vem',mt_dbl,2,pol_cosmo_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cosmo_tidy.F... Compiling cosmo_def_radii.F... cosmo_def_radii.F:271:52: 265 | $ rtdb_get(rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 271 | $ status = rtdb_get(rtdb,'cosmo:sola',mt_dbl,1,sola) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling cosmo_charges.F... cosmo_charges.F:102:55: 83 | if(.not.rtdb_get(rtdb,'cosmo:nefc',mt_int,1 ,nefc)) | 2 ...... 102 | if(.not.rtdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,dbl_mb(k_efcc))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling grad_hnd_cos.F... cosmo_charges.F:346:72: 346 | do i = 1, ndens | ^ Warning: 'ndens' may be used uninitialized [-Wmaybe-uninitialized] cosmo_charges.F:263:19: 263 | integer ndens,nvirt(2) | ^ note: 'ndens' declared here grad_hnd_cos.F:197:23: 188 | $ dbl_mb(k_rad)) | 2 ...... 197 | $ int_mb(k_efciat))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling hnd_cosmo_lib.F... grad_hnd_cos.F:419:72: 419 | $ *cosff((rr-rin(iat1))/(rout(iat1)-rin(iat1)))) | ^ Warning: 'zeta1' may be used uninitialized [-Wmaybe-uninitialized] grad_hnd_cos.F:131:28: 131 | double precision zeta1, zeta2, zeta12 | ^ note: 'zeta1' was declared here grad_hnd_cos.F:491:72: 491 | dE = dz * fact | ^ Warning: 'fact' may be used uninitialized [-Wmaybe-uninitialized] grad_hnd_cos.F:129:37: 129 | double precision dE, qfac, fact, dx, dy, dz, rr | ^ note: 'fact' was declared here Compiling hnd_coschg.F... hnd_cosmo_lib.F:897:55: 894 | if(.not.rtdb_put(rtdb,'cosmo:nefc',mt_int,1 ,nefc)) | 2 ...... 897 | if(.not.rtdb_put(rtdb,'cosmo:efcc',mt_dbl,3*nefc,dbl_mb(k_efcc))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hnd_coschg.F:619:43: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 619 | $ (rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_coschg.F:640:52: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 640 | if(.not.rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_coschg.F:1208:52: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 1208 | if(.not.rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_coschg.F:1212:53: 921 | d dbl_mb(i20))) then | 2 ...... 1212 | if(.not.rtdb_put(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). hnd_coschg.F:1280:52: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 1280 | if(.not.rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cosmo_thomson.F... hnd_cosmo_lib.F:612:32: 612 | $ iangleb.lt.1.and.fibonacci.lt.1) then | ^ Warning: 'dbug' may be used uninitialized [-Wmaybe-uninitialized] hnd_cosmo_lib.F:402:22: 402 | logical dbug | ^ note: 'dbug' was declared here hnd_cosmo_lib.F:809:72: 809 | dbl_mb(k_efczz+ief-1) =zetai | ^ Warning: 'zetai' may be used uninitialized [-Wmaybe-uninitialized] hnd_cosmo_lib.F:433:56: 433 | double precision ratm_real,dij,dum,cavdsp,pi,zetai,zetaii | ^ note: 'zetai' was declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/solvation' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/solvation' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libsolvation.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libsolvation.a mnsol_mem.o mnsol_interface.o mnsol.o solv_data.o cosmo_smd_output.o cosmo_vem_output.o cosmo_lebedev.o cosmo_fibonacci.o cosmo_input.o cosmo_initialize.o cosmo_tidy.o cosmo_def_radii.o cosmo_charges.o grad_hnd_cos.o hnd_cosmo_lib.o hnd_coschg.o cosmo_thomson.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libsolvation.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libsolvation.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libsolvation.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/solvation' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/solvation' Making libraries in nwpw make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined Compiling nwpw_input.F... nwpw_input.F:436:53: 349 | 1510 if (.not.rtdb_put(rtdb,'pspw_qmmm_auxon',mt_log,1,.true.)) | 2 ...... 436 | value = rtdb_put(rtdb,'band:dos-grid',mt_int,3,cell_expand) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). nwpw_input.F:1467:33: 1462 | > mt_int,2,loop)) then | 2 ...... 1467 | > mt_dbl,1,ff)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). nwpw_input.F:1475:33: 1462 | > mt_int,2,loop)) then | 2 ...... 1475 | > mt_int,1,nz)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_input.F:1631:62: 1462 | > mt_int,2,loop)) then | 2 ...... 1631 | if (.not.rtdb_get(rtdb,'nwpw:pspspin_count',mt_int,1,nz)) nz=0 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_input.F:1784:56: 1462 | > mt_int,2,loop)) then | 2 ...... 1784 | if (.not.rtdb_get(rtdb,'nwpw:nuterms',mt_int,1,nuterms)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling nwpw_default.F... nwpw_default.F:165:54: 151 | > frac_coord) | 2 ...... 165 | > btdb_put(rtdb,'cgsd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling nwpw_vectors_input.F... nwpw_vectors_input.F:243:51: 139 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 243 | if (.not. rtdb_put(rtdb, test, mt_int, 1, nfrag)) call errquit | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_vectors_input.F:262:51: 139 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 262 | if (.not. rtdb_put(rtdb, test, MT_LOG, 1, olock)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Making all in nwpwlib make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib' Making all in Parallel make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/Parallel' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/Parallel' Compiling Parallel.F... Parallel.F:808:19: 626 | call ycopy(n,a,1,b,1) | 2 ...... 808 | call ycopy(n,0.0d0,0,b,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Parallel.F:866:19: 685 | call scopy(n,a,1,b,1) | 2 ...... 866 | call scopy(n,0.0,0,b,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Parallel.F:931:23: 626 | call ycopy(n,a,1,b,1) | 2 ...... 931 | call ycopy(n1,0.0d0,0,c(1,j),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling Parallel-mpi.F... Parallel-mpi.F:1342:72: 1342 | call stupid_icopy8to4(nreq,req,int_mb(request2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:210:72: 210 | call stupid_icopy8to4(np_i,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:221:72: 221 | call stupid_icopy8to4(np_j,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:387:72: 387 | call stupid_icopy8to4(np_i,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:401:72: 401 | call stupid_icopy8to4(np_j,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:414:72: 414 | call stupid_icopy8to4(np_k,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:584:28: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 584 | call MPI_Allreduce(isum2,isumall,stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:584:34: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 584 | call MPI_Allreduce(isum2,isumall,stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:782:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 782 | call MPI_Allreduce(sum,sumall(1),msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:782:39: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 782 | call MPI_Allreduce(sum,sumall(1),msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:783:22: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 783 | > MPI_DOUBLE_PRECISION, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:784:22: 546 | > stupid_max,stupid_world,stupid_ierr) | 2 ...... 784 | > MPI_SUM,comm_world,mpierr) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:784:30: 546 | > stupid_max,stupid_world,stupid_ierr) | 2 ...... 784 | > MPI_SUM,comm_world,mpierr) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:784:41: 546 | > stupid_max,stupid_world,stupid_ierr) | 2 ...... 784 | > MPI_SUM,comm_world,mpierr) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:819:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 819 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:819:30: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 819 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:822:19: 785 | call ycopy(n,sumall(1),1,sum,1) | 2 ...... 822 | call ycopy(n,sumall,1,sum0,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Parallel-mpi.F:872:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 872 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:917:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 917 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:917:30: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 917 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:973:72: 973 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:978:72: 978 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1071:24: 1026 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 2 ...... 1071 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:1117:24: 1026 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 2 ...... 1117 | call MPI_Bcast(isum4,stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:1169:72: 1169 | call stupid_icopy8to4(nsize,isum,int_mb(sumall(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1172:72: 1172 | call stupid_icopy4to8(nsize,int_mb(sumall(1)),isum) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1267:72: 1267 | call stupid_icopy8to4(nreq,req,int_mb(request2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1616:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 1616 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:1683:72: 1683 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1688:72: 1688 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1785:24: 1026 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 2 ...... 1785 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:1889:72: 1889 | call stupid_icopy8to4(nsize,isum,int_mb(sumall(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1892:72: 1892 | call stupid_icopy4to8(nsize,int_mb(sumall(1)),isum) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:2106:27: 1975 | call MPI_IRECV(A2, | 2 ...... 2106 | call MPI_IRECV(IA2, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Parallel-mpi.F:2124:27: 1991 | call MPI_ISEND(A1, | 2 ...... 2124 | call MPI_ISEND(IA1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Parallel-mpi.F:2264:72: 2264 | call stupid_icopy8to4(nsize,ival,int_mb(ival4(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:2268:20: 2225 | call MPI_SEND(rval,stupid_msglen,stupid_double, | 2 ...... 2268 | call MPI_SEND(int_mb(ival4(1)),stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Parallel-mpi.F:2399:20: 2348 | call MPI_RECV(rval,stupid_msglen,stupid_double, | 2 ...... 2399 | call MPI_RECV(int_mb(ival4(1)),stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Parallel-mpi.F:2403:72: 2403 | call stupid_icopy4to8(nsize,int_mb(ival4(1)),ival) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/Parallel' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/Parallel' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a Parallel.o Parallel-mpi.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/Parallel' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/Parallel' Making all in D1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/D1dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/D1dB' Compiling D1dB.F... Compiling Dne.F... Compiling Dnex.F... Compiling skew.F... Compiling Dne_omp.F... Dne_omp.F:595:19: 428 | > A(shift2), n, | 2 ...... 595 | > Ain(shift+mstart), 2*npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne_omp.F:598:19: 431 | > C(shift2), n) | 2 ...... 598 | > Aout(shift+mstart),2*npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:3216:22: 1027 | > Ain(shift), 2*npack1, | 2 ...... 3216 | > A(shift2), n, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:3219:22: 1030 | > Aout(shift),2*npack1) | 2 ...... 3219 | > C(shift2), n) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:2996:19: 1210 | > A1(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 2996 | > A(shift2),mcq(ms), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:2999:19: 1213 | > A2(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 2999 | > B(shift2),mcq(ms), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1086:19: 1086 | > Ain(shift),int_mb(ma(1,ms)+taskid_i), | 1 ...... 3181 | > A(shift2),mcq(ms), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1093:19: 1093 | > Aout(shift),int_mb(ma(1,ms)+taskid_i), | 1 ...... 3188 | > C(shift2),mcq(ms), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1686:68: 1686 | call Parallel_shared_vector_zero(.true.,2*(ne(1)+ne(2)),eig) | 1 ...... 5307 | call Parallel_shared_vector_zero(.true.,nall,B) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1787:47: 1787 | call ycopy(2*(ne(1)+ne(2)),0.0d0,0,eig,1) | 1 ...... 1925 | call ycopy(mcq(ms)*ncq(ms),dbl_mb(Q(1)),1,hml(shift2),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1814:39: 1814 | call ycopy(2*ne(ms)*ne(ms),hml(shift1),1,dbl_mb(tmp1(1)),1) | 1 ...... 1925 | call ycopy(mcq(ms)*ncq(ms),dbl_mb(Q(1)),1,hml(shift2),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1816:23: 1722 | > dcpl_mb(tmp1(1)),ne(ms), | 2 ...... 1816 | > dbl_mb(tmp1(1)),ne(ms), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1818:23: 1724 | > U(shift2),ne(ms), | 2 ...... 1818 | > dbl_mb(tmp2(1)),1,dbl_mb(tmp2(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1818:41: 1725 | > V(shift2),ne(ms), | 2 ...... 1818 | > dbl_mb(tmp2(1)),1,dbl_mb(tmp2(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1819:23: 1726 | > dcpl_mb(tmp4(1)),2*ne(1)*ne(1), | 2 ...... 1819 | > dbl_mb(tmp2(1)),2*ne(1)*ne(1), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:2300:56: 2152 | call dscal_omp(n2ft3d,(1.0d0/L(indx0)),A(1,q),1) | 2 ...... 2300 | call DSCAL_OMP(2*npack1,dbl_mb(tmp2(1)+n-1),U(shift),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:2421:52: 2218 | call yscal(ne(ms),sum,U(shift),1) | 2 ...... 2421 | call yscal(2*npack1,dbl_mb(tmp2(1)+n-1),U(shift),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:4237:49: 1719 | > hml(shift1),dcpl_mb(tmp1(1))) | 2 ...... 4237 | call Parallel_shared_vector_copy(.true.,nn,A,A0(shift2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:4237:51: 1719 | > hml(shift1),dcpl_mb(tmp1(1))) | 2 ...... 4237 | call Parallel_shared_vector_copy(.true.,nn,A,A0(shift2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:5396:46: 5216 | > call D1dB_Brdcst_values(kcur,2*npack1,dcpl_mb(A(1))) | 2 ...... 5396 | call D1dB_Brdcst_values(kcur,1,RRM) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:6684:22: 4975 | > A(shift2), | 2 ...... 6684 | > m2cq(ms),int_mb(m2c(1,ms)),int_mb(n2c(1,ms)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Dne.F:7822:22: 948 | > Ain(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7822 | > Ain(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7829:22: 955 | > Aout(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7829 | > Aout(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7844:22: 990 | > Ain(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7844 | > Ain(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7851:22: 997 | > Aout(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7851 | > Aout(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling D1dB-mpi.F... D1dB-mpi.F:86:27: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D1dB-mpi.F:86:39: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D1dB-mpi.F:234:25: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 234 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D1dB-mpi.F:300:32: 174 | call stupid_icopy8to4(1,isum,iisum) | 2 ...... 300 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D1dB-mpi.F:305:48: 177 | call stupid_icopy4to8(1,isumall,isum) | 2 ...... 305 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling D1dBs-mpi.F... D1dBs-mpi.F:142:25: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_real, | 2 ...... 142 | call MPI_Allreduce(sum,real_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Dne.F:7243:72: 7243 | > 'work1in',work1in(2),work1in(1)) | ^ Warning: 'mcin' may be used uninitialized [-Wmaybe-uninitialized] Dne.F:7198:23: 7198 | integer mcin(2,NBLOCKS),ncin(2,NBLOCKS) | ^ note: 'mcin' declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/D1dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/D1dB' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a D1dB.o Dne.o Dnex.o skew.o Dne_omp.o D1dB-mpi.o D1dBs-mpi.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/D1dB' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/D1dB' Making all in D3dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/D3dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/D3dB' Compiling D3dB-new.F... Compiling D3dBs-new.F... D3dB-new.F:1019:61: 993 | call Parallel_shared_vector_zero(.true.,n2ft3d_map(nb),A) | 2 ...... 1019 | call Parallel_shared_vector_zero(.true.,n2ft3d_map(nb),A) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1080:61: 1053 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 1080 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1080:63: 1053 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 1080 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1709:72: 1709 | call cshift1_fftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1718:72: 1718 | call zeroend_fftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1804:72: 1804 | call cshift1_fftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1810:72: 1810 | call zeroend_fftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1839:31: 1714 | call drfftb(nx(nb),A(indx),dcpl_mb(tmpx(1,nb))) | 2 ...... 1839 | call drfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1856:31: 1601 | call dcfftb(nz(nb),dcpl_mb(tmp2(1)),dcpl_mb(tmpz(1,nb))) | 2 ...... 1856 | call dcfftb(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:2249:72: 2249 | call cshift_fftf(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:2409:72: 2409 | call cshift_fftf(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:2491:31: 2247 | call drfftf(nx(nb),A((j-1)*nxh+1),dcpl_mb(tmpx(1,nb)+offset)) | 2 ...... 2491 | call drfftf(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:2508:31: 2304 | > dcpl_mb(tmpy(1,nb)+offset)) | 2 ...... 2508 | call dcfftf(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dBs-new.F:41:62: 18 | call Parallel_shared_vector_szero(.true.,n2ft3d_map(nb),A) | 2 ...... 41 | call Parallel_shared_vector_szero(.true.,n2ft3d_map(nb),A) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:96:62: 71 | call Parallel_shared_vector_scopy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 96 | call Parallel_shared_vector_scopy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:96:64: 71 | call Parallel_shared_vector_scopy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 96 | call Parallel_shared_vector_scopy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:573:72: 573 | call cshift1_sfftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:582:72: 582 | call zeroend_sfftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:641:72: 641 | call cshift1_sfftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:647:72: 647 | call zeroend_sfftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:673:31: 578 | call srfftb(nx(nb),A(indx),scpl_mb(tmpx(1,nb))) | 2 ...... 673 | call srfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:686:31: 513 | call scfftb(nz(nb),scpl_mb(tmp2(1)),scpl_mb(tmpz(1,nb))) | 2 ...... 686 | call scfftb(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:852:72: 852 | call cshift_sfftf(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:956:72: 956 | call cshift_sfftf(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:1015:31: 850 | call srfftf(nx(nb),A((j-1)*nxh+1),scpl_mb(tmpx(1,nb)+offset)) | 2 ...... 1015 | call srfftf(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:1028:31: 879 | > scpl_mb(tmpy(1,nb)+offset)) | 2 ...... 1028 | call scfftf(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). Compiling generate_map_indexes.F... Compiling hilbert.c... hilbert.c: In function 'hilbert2d': hilbert.c:137:15: warning: variable 'direction' set but not used [-Wunused-but-set-variable] 137 | int start,direction; | ^~~~~~~~~ hilbert.c: In function 'hilbert_dir': hilbert.c:280:11: warning: 'direction' may be used uninitialized [-Wmaybe-uninitialized] 280 | return direction; | ^~~~~~~~~ hilbert.c:162:9: note: 'direction' was declared here 162 | int direction,parent_direction, | ^~~~~~~~~ Compiling hcurve.c... Compiling olist.c... Compiling trans.F... Compiling D3dB_pfft.F... Compiling D3dBs_pfft.F... D3dB_pfft.F:4018:35: 3762 | call ycopy((nx(id)+2)*ny(id)*nq(id),tmp2,1,tmp1,1) | 2 ...... 4018 | call ycopy(4*nfft3d(1)*aqmax,0.0d0,0,dcpl_mb(atmp(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2615:24: 2615 | call drfftf(nx,A(1,i),tmpx) | 1 ...... 2693 | call drfftf(nx(id),tmp1(indx),dcpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2615:31: 2615 | call drfftf(nx,A(1,i),tmpx) | 1 ...... 2693 | call drfftf(nx(id),tmp1(indx),dcpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2953:27: 2953 | call dcfftf(ny,A(1,i),tmpy) | 1 ...... 3070 | call dcfftf(nz(id),tmp1,dcpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2953:34: 2953 | call dcfftf(ny,A(1,i),tmpy) | 1 ...... 3070 | call dcfftf(nz(id),tmp1,dcpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3468:27: 3468 | call dcfftb(nz,A(1,i),tmpz) | 1 ...... 3584 | call dcfftb(ny(id),tmp1,dcpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3468:34: 3468 | call dcfftb(nz,A(1,i),tmpz) | 1 ...... 3584 | call dcfftb(ny(id),tmp1,dcpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3828:24: 3754 | call drfftb(nx(id),tmp2(indx),dcpl_mb(tmpx(1,id))) | 2 ...... 3828 | call drfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3828:31: 3754 | call drfftb(nx(id),tmp2(indx),dcpl_mb(tmpx(1,id))) | 2 ...... 3828 | call drfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dBs_pfft.F:972:24: 972 | call srfftf(nx,A(1,i),tmpx) | 1 ...... 1046 | call srfftf(nx(id),tmp1(indx),scpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:972:31: 972 | call srfftf(nx,A(1,i),tmpx) | 1 ...... 1046 | call srfftf(nx(id),tmp1(indx),scpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1257:27: 1257 | call scfftf(ny,A(1,i),tmpy) | 1 ...... 1345 | call scfftf(nz(id),tmp1,scpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1257:34: 1257 | call scfftf(ny,A(1,i),tmpy) | 1 ...... 1345 | call scfftf(nz(id),tmp1,scpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1694:27: 1694 | call scfftb(nz,A(1,i),tmpz) | 1 ...... 1780 | call scfftb(ny(id),tmp1,scpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1694:34: 1694 | call scfftb(nz,A(1,i),tmpz) | 1 ...... 1780 | call scfftb(ny(id),tmp1,scpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1987:24: 1928 | call srfftb(nx(id),tmp2(indx),scpl_mb(tmpx(1,id))) | 2 ...... 1987 | call srfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1987:31: 1928 | call srfftb(nx(id),tmp2(indx),scpl_mb(tmpx(1,id))) | 2 ...... 1987 | call srfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). Compiling D3dB-mpi.F... Compiling D3dBs-mpi.F... D3dBs-mpi.F:663:24: 90 | > tmp1(int_mb(i1_start(1,nb)+1-1)), | 2 ...... 663 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-mpi.F:664:24: 91 | > tmp2(int_mb(i2_start(1,nb)+1-1))) | 2 ...... 664 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-mpi.F:686:27: 114 | call MPI_IRECV(tmp2(int_mb(i2_start(1,nb)+it+1-1)), | 2 ...... 686 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-mpi.F:718:26: 146 | call MPI_SEND(tmp1(int_mb(i1_start(1,nb)+it+1-1)), | 2 ...... 718 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-mpi.F:3286:26: 115 | > stupid_msglen,stupid_scomplex, | 2 ...... 3286 | > 2*stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). D3dBs-mpi.F:3339:27: 1338 | call MPI_ISEND(A(indx), | 2 ...... 3339 | call MPI_ISEND(int_mb(c_iq_to_i2+int_mb(i1_start+it+1-1)-1), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/COMPLEX(4)). D3dBs-mpi.F:3340:27: 1339 | > stupid_msglen,stupid_scomplex, | 2 ...... 3340 | > 2*stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). D3dBs-mpi.F:5218:25: 5120 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_real, | 2 ...... 5218 | call MPI_Allreduce(sum,real_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D3dB-mpi.F:502:27: 502 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 1 ...... 692 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:534:26: 534 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 1 ...... 724 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:881:28: 793 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 881 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D3dB-mpi.F:881:40: 793 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 881 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D3dB-mpi.F:946:25: 793 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 946 | call MPI_Allreduce(sum,dbl_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D3dB-mpi.F:1127:17: 669 | call ycopy(msglen,tmp1(int_mb(h_i1_start(1,op,nb))),1, | 2 ...... 1127 | > tmp1(int_mb(i1_start(1,nbb)+1-1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:1128:17: 670 | > tmp2(int_mb(h_i2_start(1,op,nb))),1) | 2 ...... 1128 | > tmp2(int_mb(i2_start(1,nbb)+1-1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:3257:29: 2766 | call dread(iunit,tmp,(nx(nb)+2)*ny(nb)) | 2 ...... 3257 | call dread(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:3312:29: 2814 | call MPI_RECV(tmp, | 2 ...... 3312 | call MPI_RECV(tmp, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:3901:72: 3901 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:3901:72: 3901 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:4141:72: 4141 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:4141:72: 4141 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:4858:30: 4271 | call dwrite(iunit,tmp,(nx(nb)+2)*ny(nb)) | 2 ...... 4858 | call dwrite(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:5162:72: 5162 | > dcpl_mb(tmp2(1))) !*** map3to1 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:5162:72: 5162 | > dcpl_mb(tmp2(1))) !*** map3to1 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:6107:21: 478 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 2 ...... 6107 | > tmp1(int_mb(ic1_start(1)+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:6108:21: 479 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 2 ...... 6108 | > tmp2(int_mb(ic2_start(1)+1-1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:6984:26: 693 | > stupid_msglen,stupid_double, | 2 ...... 6984 | > 2*stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). D3dB-mpi.F:7037:27: 1621 | call MPI_ISEND(A(indx), | 2 ...... 7037 | call MPI_ISEND(int_mb(c_iq_to_i2+int_mb(i1_start+it+1-1)-1), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/COMPLEX(8)). D3dB-mpi.F:7038:27: 1622 | > stupid_msglen,stupid_complex, | 2 ...... 7038 | > 2*stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/D3dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/D3dB' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a D3dB-new.o D3dBs-new.o generate_map_indexes.o hilbert.o hcurve.o olist.o trans.o D3dB_pfft.o D3dBs_pfft.o D3dB-mpi.o D3dBs-mpi.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/D3dB' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/D3dB' Making all in Pneb make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/Pneb' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/Pneb' Compiling Pneb.F... Pneb.F:2045:55: 2044 | call Parallela_Brdcst_values(1,MASTER,2*(vindex-1),V) | 2 2045 | call Parallela_Brdcst_values(1,MASTER,(sindex-1),S) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:1589:54: 1589 | if (np.gt.1) call C3dB_Vector_SumAll(2*nsize,hml) | 1 ...... 3223 | if (np.gt.1) call C3dB_Vector_SumAll(nsize,hml) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Pneb.F:4542:51: 1097 | call Parallel_shared_vector_zero(.true.,2*nsize,w) | 2 ...... 4542 | call Parallel_shared_vector_zero(.true.,nall,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:4550:35: 4518 | call C1dB_Vector_SumAll(2*nall,B) | 2 ...... 4550 | call C1dB_Vector_SumAll(nall,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:1268:72: 1268 | > dcpl_mb(mat_tmp(1)),hml) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) Pneb.F:2564:26: 1913 | call ycopy(2*nsize,hml,1,gml,1) | 2 ...... 2564 | call ycopy(2*nbrill,0.0d0,0,dbl_mb(sm2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:2564:34: 1913 | call ycopy(2*nsize,hml,1,gml,1) | 2 ...... 2564 | call ycopy(2*nbrill,0.0d0,0,dbl_mb(sm2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:2576:72: 2576 | > sum2) | 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2576:72: 2576 | > sum2) | 1 Warning: Type mismatch in argument 'y2' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2576:31: 2576 | > sum2) | 1 Warning: Rank mismatch in argument 'hml' at (1) (rank-1 and scalar) Pneb.F:2579:72: 2579 | call Pneb_makeOrtho(ms,nbq,npack1,dbl_mb(a_shift)) | 1 Warning: Type mismatch in argument 'a' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2583:72: 2583 | > sum3) | 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2583:72: 2583 | > sum3) | 1 Warning: Type mismatch in argument 'y2' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2583:31: 2583 | > sum3) | 1 Warning: Rank mismatch in argument 'hml' at (1) (rank-1 and scalar) Pneb.F:2834:35: 2834 | call Cram_cc_zdot(nb,dbl_mb(index11),dbl_mb(index21),wc1) | 1 ...... 4495 | call Cram_cc_zdot(nbq,Y(indx), Y(indx2),z1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:2834:51: 2834 | call Cram_cc_zdot(nb,dbl_mb(index11),dbl_mb(index21),wc1) | 1 ...... 4495 | call Cram_cc_zdot(nbq,Y(indx), Y(indx2),z1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:3125:72: 3125 | > tmp) | 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:3125:72: 3125 | > tmp) | 1 Warning: Type mismatch in argument 'y2' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:3125:29: 3125 | > tmp) | 1 Warning: Rank mismatch in argument 'hml' at (1) (rank-1 and scalar) Pneb.F:4472:72: 4472 | > dbl_mb(svec_shift)) | 1 Warning: Type mismatch in argument 'y' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:5272:60: 5272 | > nbsize*4*(ne(1)*ne(1)+ne(2)*ne(2)),C) | 1 ...... 5416 | > nbsize*8*(ne(1)*ne(1)+ne(2)*ne(2)),C) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:5600:30: 1886 | call dscal_omp(2*nsize,alpha,hml,1) | 2 ...... 5600 | call DSCAL_OMP(nn,alpha,M,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:5817:64: 1970 | call Parallel_shared_vector_copy(.true.,2*nsize,hml,gml) | 2 ...... 5817 | > nbsize*8*(ne(1)*ne(1)+ne(2)*ne(2)),K,U) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Pneb.F:5817:66: 1970 | call Parallel_shared_vector_copy(.true.,2*nsize,hml,gml) | 2 ...... 5817 | > nbsize*8*(ne(1)*ne(1)+ne(2)*ne(2)),K,U) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Pneb.F:5524:17: 5524 | real*8 sum | ^ Warning: 'sum' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:5770:32: 5770 | integer nb,nb1,nb2,ishift3,ishift4,nbsize,nn,i | ^ Warning: 'ishift3' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:5867:32: 5867 | integer nb,nb1,nb2,ishift3,ishift4 | ^ Warning: 'ishift3' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:5979:72: 5979 | > 4*ne(ms)*ne(ms)*nbsize,A) | ^ Warning: 'ms' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:5950:16: 5950 | integer ms,ms1,ms2,shift2,ishift2,k | ^ note: 'ms' was declared here Pneb.F:6042:72: 6042 | > 8*ne(ms)*ne(ms)*nbsize,A) | ^ Warning: 'ms' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:6013:16: 6013 | integer ms,ms1,ms2,shift2,ishift2,k | ^ note: 'ms' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/Pneb' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/Pneb' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a Pneb.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/Pneb' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/Pneb' Making all in K1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/K1dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/K1dB' Compiling K1dB.F... Compiling K1dB-mpi.F... K1dB-mpi.F:73:27: 30 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 73 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). K1dB-mpi.F:73:39: 30 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 73 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). K1dB-mpi.F:209:28: 30 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 209 | call MPI_Allreduce(sum,dbl_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/K1dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/K1dB' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a K1dB.o K1dB-mpi.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/K1dB' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/K1dB' Making all in C1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/C1dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/C1dB' Compiling C1dB.F... Compiling C1dB-mpi.F... C1dB-mpi.F:86:27: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C1dB-mpi.F:86:39: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C1dB-mpi.F:234:25: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 234 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) C1dB-mpi.F:300:32: 174 | call stupid_icopy8to4(1,isum,iisum) | 2 ...... 300 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) C1dB-mpi.F:305:48: 177 | call stupid_icopy4to8(1,isumall,isum) | 2 ...... 305 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/C1dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/C1dB' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a C1dB.o C1dB-mpi.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/C1dB' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/C1dB' Making all in C3dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/C3dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/C3dB' Compiling C3dB-new.F... C3dB-new.F:841:61: 828 | call Parallel_shared_vector_zero(.true.,2*nfft3d_map(nb),A) | 2 ...... 841 | call Parallel_shared_vector_zero(.true.,n2ft3d_map(nb),A) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-new.F:873:61: 861 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 873 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-new.F:873:63: 861 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 873 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-new.F:2037:35: 2011 | call RCV(9+MSGDBL,tmp(k),mdtob(msglen),rcv_len, | 2 ...... 2037 | call RCV(9+MSGINT,idum,mitob(msglen),rcv_len, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). C3dB-new.F:2039:35: 2010 | call SND(9+MSGINT,idum,mitob(msglen),source,1) | 2 ...... 2039 | call SND(9+MSGDBL,tmp,mdtob(msglen),dest,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). C3dB-new.F:3409:39: 3348 | call C3dB_Vector_SumAll(2,suma) | 2 ...... 3409 | call C3dB_Vector_SumAll(nn*ne,sumall) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling c_trans.F... Compiling C3dB_pfft.F... Compiling C3dB-mpi.F... C3dB-mpi.F:688:24: 492 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 2 ...... 688 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:689:24: 493 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 2 ...... 689 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:713:27: 517 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 2 ...... 713 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:745:26: 549 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 2 ...... 745 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:909:28: 819 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 909 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C3dB-mpi.F:909:40: 819 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 909 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C3dB-mpi.F:972:25: 819 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 972 | call MPI_Allreduce(sum,dbl_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) C3dB-mpi.F:2881:29: 2605 | call dread(iunit,tmp,2*nx(nb)*ny(nb)) | 2 ...... 2881 | call dread(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:2928:29: 2653 | call MPI_RECV(tmp, | 2 ...... 2928 | call MPI_RECV(tmp, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:3035:72: 3035 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:3035:72: 3035 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:3576:72: 3576 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:3576:72: 3576 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:4296:30: 3709 | call dwrite(iunit,tmp,2*nx(nb)*ny(nb)) | 2 ...... 4296 | call dwrite(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/C3dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/C3dB' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a C3dB-new.o c_trans.o C3dB_pfft.o C3dB-mpi.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/C3dB' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/C3dB' Making all in DMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/DMatrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/DMatrix' Compiling DMatrix.F... Compiling DMatrix-mpi.F... DMatrix-mpi.F:1625:26: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 1625 | call MPI_Bcast(beta,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) DMatrix-mpi.F:1671:21: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 1671 | call MPI_Bcast(v2,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) DMatrix-mpi.F:1892:25: 1609 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1892 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:1892:31: 1609 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1892 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:1945:25: 1609 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1945 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:1945:31: 1609 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1945 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:3096:26: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 3096 | call MPI_Bcast(beta,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) DMatrix-mpi.F:3141:21: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 3141 | call MPI_Bcast(r2,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/DMatrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/DMatrix' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a DMatrix.o DMatrix-mpi.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/DMatrix' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/DMatrix' Making all in CMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/CMatrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/CMatrix' Compiling CMatrix.F... Compiling CMatrix-mpi.F... CMatrix-mpi.F:1070:39: 288 | call Parallel_shared_vector_zero(.true.,ne0,Bcol(1+(j-1)*ne0)) | 2 ...... 1070 | > C) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1100:27: 1100 | call MPI_Bcast(work1,stupid_msglen, | 1 ...... 1244 | call MPI_Bcast(work2,stupid_msglen,stupid_complex, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1123:25: 1123 | call MPI_Reduce(work2,work1,stupid_msglen, | 1 ...... 1266 | call MPI_Reduce(work1,work2,stupid_msglen,stupid_complex, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1123:31: 1123 | call MPI_Reduce(work2,work1,stupid_msglen, | 1 ...... 1266 | call MPI_Reduce(work1,work2,stupid_msglen,stupid_complex, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1138:51: 1138 | call DAXPY_OMP(nc(taskid_j+1),1.0d0,work1(shift),iwrk, | 1 ...... 1280 | > work2(shift),1, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1139:42: 1139 | > C(i+1,1),mc(taskid_i+1)) | 1 ...... 1281 | > C(1,j+1),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1849:25: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1849 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1849:31: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1849 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1902:25: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1902 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1902:31: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1902 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1941:27: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1941 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_complex, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). CMatrix-mpi.F:1941:31: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1941 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_complex, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). CMatrix-mpi.F:2186:53: 2186 | integer kk,iwrk,icur,jcur,ierr,shift,shft,shft2,shft3 | ^ Warning: 'shft2' may be used uninitialized [-Wmaybe-uninitialized] CMatrix-mpi.F:2186:59: 2186 | integer kk,iwrk,icur,jcur,ierr,shift,shft,shft2,shft3 | ^ Warning: 'shft3' may be used uninitialized [-Wmaybe-uninitialized] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/CMatrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/CMatrix' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a CMatrix.o CMatrix-mpi.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/CMatrix' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/CMatrix' Making all in TMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/TMatrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/TMatrix' Compiling dgemm_omp.F... Compiling dgamm_omp.F... Compiling daxpy_omp.F... Compiling saxpy_omp.F... Compiling dscal_omp.F... Compiling zscal_omp.F... Compiling ffm_multiply_omp_group.F... Compiling zgemm_omp.F... Compiling sgemm_omp.F... Compiling ffw_multiply_omp_group.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/TMatrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/TMatrix' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a dgemm_omp.o dgamm_omp.o daxpy_omp.o saxpy_omp.o dscal_omp.o zscal_omp.o ffm_multiply_omp_group.o zgemm_omp.o sgemm_omp.o ffw_multiply_omp_group.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/TMatrix' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/TMatrix' Making all in control make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/control' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/control' Compiling control.F... Compiling psi_get_ne.F... psi_get_ne.F:53:22: 52 | call iread(4,version,1) | 2 53 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:56:22: 52 | call iread(4,version,1) | 2 ...... 56 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:64:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 63 | msglen = 3 64 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:70:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 70 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:157:22: 52 | call iread(4,version,1) | 2 ...... 157 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:160:22: 52 | call iread(4,version,1) | 2 ...... 160 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:168:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 168 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:174:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 174 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:257:22: 52 | call iread(4,version,1) | 2 ...... 257 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:260:22: 52 | call iread(4,version,1) | 2 ...... 260 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:271:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 271 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:277:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 277 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:363:22: 52 | call iread(4,version,1) | 2 ...... 363 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:366:22: 52 | call iread(4,version,1) | 2 ...... 366 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:377:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 377 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:383:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 383 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psi_get_version.F... Compiling psi_get_header.F... psi_get_header.F:53:25: 52 | call iread(4,version,1) | 2 53 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:56:25: 52 | call iread(4,version,1) | 2 ...... 56 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:74:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 74 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:80:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 80 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:124:22: 52 | call iread(4,version,1) | 2 ...... 124 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:127:22: 52 | call iread(4,version,1) | 2 ...... 127 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:135:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 135 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:141:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 141 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cpsi_get_header.F... cpsi_get_header.F:45:22: 44 | call iread(4,version,1) | 2 45 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_get_header.F:48:22: 44 | call iread(4,version,1) | 2 ...... 48 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_get_header.F:57:49: 55 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 56 | msglen = 3 57 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_get_header.F:63:49: 55 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 63 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rho_check_header.F... control.F:4968:26: 4968 | > dbl_mb(kvs(1))) | 1 ...... 5875 | if (.not.btdb_get(rtdb,'nwpw:3x3ne_virtual',mt_log,1,value)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). control.F:1577:54: 1577 | if (.not.btdb_put(rtdb,rtdb_unita,mt_dbl,9,unita)) then | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control_gga.fh:372:60: 64 | value = rtdb_put(rtdb,'cpsd:ispin',mt_int,1,2) | 2 ...... 372 | value = value.and.rtdb_put(rtdb,'pspw:HFX',mt_log,1,.true.) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). control.F:663:22: 663 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1061:22: 1061 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1099:22: 1099 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1175:25: 1175 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1179:58: 1179 | > btdb_put(rtdb,rtdb_unitaf,mt_dbl,9,unita_frozen) | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1193:28: 1193 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1197:58: 1197 | > btdb_put(rtdb,rtdb_unitaf,mt_dbl,9,unita_frozen) | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1203:22: 1203 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:2567:19: 2567 | call ycopy(9,unita_in,1,unita,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) control.F:2576:52: 2576 | if (.not.btdb_put(rtdb,rtdb_unita,mt_dbl,9,unita)) | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:2595:19: 2595 | call ycopy(9,unita,1,unita_out,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:2626:19: 2626 | call ycopy(9,unita_in,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) control.F:2635:52: 2635 | if (.not.btdb_put(rtdb,rtdb_unita,mt_dbl,9,unita)) | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:7456:55: 6199 | > mt_dbl,1,wcut_atom)) | 2 ...... 7456 | value = btdb_put(rtdb,'nwpw:excited_ne',mt_int,2,ne) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). rho_check_header.F:58:25: 57 | call iread(4,version,1) | 2 58 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rho_check_header.F:80:52: 70 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 80 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling get_psp_type.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/control' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/control' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a control.o psi_get_ne.o psi_get_version.o psi_get_header.o cpsi_get_header.o rho_check_header.o get_psp_type.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/control' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/control' Making all in lattice make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/lattice' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/lattice' Compiling lattice.f... lattice.f:1160:19: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1160 | call ycopy(9,0.0d0,0,a,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1165:26: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1165 | call ycopy(6*n2ft3d,0.0d0,0,xs,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1435:26: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1435 | call ycopy(3*n2ft3d,0.0d0,0,r,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1509:26: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1509 | call ycopy(3*n2ft3d,0.0d0,0,r,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1710:24: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1710 | call ycopy(n2ft3d,0.0d0,0,r,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling mask_init.F... Compiling pack.F... Compiling cloak.F... pack.F:2993:66: 2901 | call Parallel_shared_vector_copy(.true.,2*(nida(nb)+nidb(nb)),A,B) | 2 ...... 2993 | call Parallel_shared_vector_copy(.true.,(nida(nb)+nidb(nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pack.F:2993:68: 2901 | call Parallel_shared_vector_copy(.true.,2*(nida(nb)+nidb(nb)),A,B) | 2 ...... 2993 | call Parallel_shared_vector_copy(.true.,(nida(nb)+nidb(nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pack.F:469:55: 469 | call Parallel_shared_vector_zero(.true.,2*nfft3d,A) | 1 ...... 696 | call Parallel_shared_vector_zero(.true.,nfft3d,A) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pack.F:758:24: 757 | call icopy(nfft3d,A,1,int_mb(tmp1(1)),1) | 2 758 | call icopy(nfft3d,0,0,A,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling cram.F... Compiling balance.F... balance.F:483:24: 416 | > A(indx), | 2 ...... 483 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(4)/COMPLEX(8)). balance.F:501:24: 434 | > A(indx), | 2 ...... 501 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(4)/COMPLEX(8)). cram.F:223:26: 222 | call ycopy(2*nfft3d,A,1,dcpl_mb(tmp1(1)),1) | 2 223 | call ycopy(2*nfft3d,0.0d0,0,A,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:352:28: 222 | call ycopy(2*nfft3d,A,1,dcpl_mb(tmp1(1)),1) | 2 ...... 352 | call ycopy(nfft3d,A,1,dbl_mb(tmp1(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:401:24: 400 | call icopy(nfft3d,A,1,int_mb(tmp1(1)),1) | 2 401 | call icopy(nfft3d,0,0,A,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cram.F:983:45: 743 | call C3dB_Vector_SumAll(2*ne,sum) | 2 ...... 983 | if (np.gt.1) call C3dB_Vector_SumAll(2,tsum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cram.F:1290:42: 1047 | sum = ydot(2*int_mb(nidb2_list(1)+nb),A,1,B,1) | 2 ...... 1290 | sum = ydot(int_mb(nidb2_list(1)+nb),A(1),1,B(1),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:1290:49: 1047 | sum = ydot(2*int_mb(nidb2_list(1)+nb),A,1,B,1) | 2 ...... 1290 | sum = ydot(int_mb(nidb2_list(1)+nb),A(1),1,B(1),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:1408:66: 1387 | > 2*(int_mb(nidb2_list(1)+nb)),A,B) | 2 ...... 1408 | > (int_mb(nidb2_list(1)+nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:1408:68: 1387 | > 2*(int_mb(nidb2_list(1)+nb)),A,B) | 2 ...... 1408 | > (int_mb(nidb2_list(1)+nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling c_balance.F... c_balance.F:457:24: 390 | > A(indx), | 2 ...... 457 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). c_balance.F:475:24: 408 | > A(indx), | 2 ...... 475 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling G_init.F... Compiling c_G_init.F... Compiling strfac.F... Compiling cstrfac.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/lattice' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/lattice' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a lattice.o mask_init.o pack.o cloak.o cram.o balance.o c_balance.o G_init.o c_G_init.o strfac.o cstrfac.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/lattice' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/lattice' Making all in io make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/io' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/io' Compiling compressed_io.c... Compiling nwpw_message.F... Compiling second.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/io' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/io' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a compressed_io.o nwpw_message.o second.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/io' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/io' Making all in ion make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ion' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ion' Making all in shake make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ion/shake' Compiling center.f... make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ion/shake' Compiling ion_FixIon.F... Compiling incell1.f... Compiling incell2.f... Compiling incell3.f... Compiling unfold.f... Compiling xyz.F... Compiling ion.F... Compiling katm_list.F... Compiling fcoord.f... Compiling seperate_molpsp.F... ion.F:815:15: 815 | if (.not. beom_tag_to_element(t,symbol,name,q)) | 1 Warning: Missing actual argument for argument '_formal_23' at (1) ion.F:4867:27: 4714 | call ycopy(N,0.0d0,0,G1,1) | 2 ...... 4867 | call ycopy(nat3*nat3,hess,1,hessp,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) ion.F:117:56: 117 | value = btdb_put(rtdb,"nwpw:ke_count",mt_int,1,ke_count) | 1 ...... 4520 | > nhess,dbl_mb(ihess(1)))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). ion.F:397:57: 397 | if (.not.btdb_get(rtdb,"nwpw:ke_count",mt_int,1,ke_count)) | 1 ...... 4483 | > nhess,dbl_mb(ihess(1))) .and. | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). ion.F:758:15: 758 | if (.not. beom_tag_to_element(t,symbol,name,q)) | 1 Warning: Missing actual argument for argument '_formal_23' at (1) ion.F:3071:26: 3071 | call ycopy((3*nion),rion,1,dbl_mb(r1(1)),1) | 1 ...... 4714 | call ycopy(N,0.0d0,0,G1,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling shake_chain.F... seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here Compiling seperate_pointcharge.F... Compiling shake_chain2.F... seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here Compiling ion_scaling_atoms.F... Compiling shake_chain3.F... Compiling shake_bonddiff.F... Compiling shake_analysis.F... Compiling molecular.F... Compiling pspw_molecule.c... ion.F:1951:40: 1951 | integer function ion_rion_indx_ptr(indx) | ^ Warning: '__result_ion_rion_indx_ptr' may be used uninitialized [-Wmaybe-uninitialized] Compiling pspw_atom.c... Compiling pspw_bond.c... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ion/shake' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ion/shake' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ion' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a shake_chain.o shake_chain2.o shake_chain3.o shake_bonddiff.o shake_analysis.o molecular.o pspw_molecule.o pspw_atom.o pspw_bond.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ion/shake' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ion/shake' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ion' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a center.o ion_FixIon.o incell1.o incell2.o incell3.o unfold.o xyz.o ion.o katm_list.o fcoord.o seperate_molpsp.o seperate_pointcharge.o ion_scaling_atoms.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ion' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ion' Making all in pseudopotential make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/pseudopotential' Compiling psp_generator_input.F... Compiling pspsolve.c... In file included from pspsolve.c:19: rpspsolve.c: In function 'rpspsolve_': rpspsolve.c:84:9: warning: unused variable 'soutfile' [-Wunused-variable] 84 | char *soutfile = (char *) malloc (m0 + m2 + 9); | ^~~~~~~~ rpspsolve.c:66:16: warning: unused variable 'l' [-Wunused-variable] 66 | int i, j, k, l, p, Nlinear, Nvalence; | ^ rpspsolve.c:66:10: warning: unused variable 'j' [-Wunused-variable] 66 | int i, j, k, l, p, Nlinear, Nvalence; | ^ rpspsolve.c:66:7: warning: unused variable 'i' [-Wunused-variable] 66 | int i, j, k, l, p, Nlinear, Nvalence; | ^ Compiling hgh_parse.c... hgh_parse.c: In function 'hgh_parse_': hgh_parse.c:85:14: warning: unused variable 'words' [-Wunused-variable] 85 | char words[20][80]; | ^~~~~ hgh_parse.c:84:19: warning: unused variable 'value' [-Wunused-variable] 84 | int argc,value; | ^~~~~ hgh_parse.c:84:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 84 | int argc,value; | ^~~~ hgh_parse.c:83:14: warning: unused variable 'line' [-Wunused-variable] 83 | char line[255]; | ^~~~ hgh_parse.c:66:14: warning: unused variable 'nmax_l' [-Wunused-variable] 66 | int nmax_l[4]; | ^~~~~~ hgh_parse.c:63:14: warning: variable 'rlocal_out' set but not used [-Wunused-but-set-variable] 63 | double rlocal_out; | ^~~~~~~~~~ hgh_parse.c:62:23: warning: variable 'locp_out' set but not used [-Wunused-but-set-variable] 62 | int lmax_out,locp_out; | ^~~~~~~~ hgh_parse.c:62:14: warning: variable 'lmax_out' set but not used [-Wunused-but-set-variable] 62 | int lmax_out,locp_out; | ^~~~~~~~ Compiling cpi_parse.c... cpi_parse.c: In function 'cpi_parse_': cpi_parse.c:99:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 99 | int argc,value; | ^~~~ Compiling teter_parse.c... teter_parse.c: In function 'teter_parse_': teter_parse.c:101:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 101 | int argc; | ^~~~ teter_parse.c:90:14: warning: variable 'r0' set but not used [-Wunused-but-set-variable] 90 | double r0,xx; | ^~ Compiling carter_parse.c... pspsolve.c: In function 'pspsolve_': pspsolve.c:77:42: warning: 'psil_extra' may be used uninitialized [-Wmaybe-uninitialized] 77 | double *rl, *rhol, **psil_ae,**psil, **psil_extra, **pspl; | ^~~~~~~~~~ carter_parse.c: In function 'carter_parse_': carter_parse.c:97:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 97 | int argc; | ^~~~ carter_parse.c:89:35: warning: unused variable 'e999' [-Wunused-variable] 89 | double r2well,rcore[10],e99,e999; | ^~~~ carter_parse.c:89:31: warning: unused variable 'e99' [-Wunused-variable] 89 | double r2well,rcore[10],e99,e999; | ^~~ carter_parse.c:87:14: warning: unused variable 'n' [-Wunused-variable] 87 | int n[10]; | ^ carter_parse.c:86:17: warning: unused variable 'xx' [-Wunused-variable] 86 | double r0,xx; | ^~ carter_parse.c:86:14: warning: unused variable 'r0' [-Wunused-variable] 86 | double r0,xx; | ^~ carter_parse.c:85:24: warning: variable 'lmaxp' set but not used [-Wunused-but-set-variable] 85 | int lmax,locp,lmaxp; | ^~~~~ carter_parse.c:83:22: warning: unused variable 'rmax' [-Wunused-variable] 83 | double drl=0.0,rmax; | ^~~~ carter_parse.c:82:7: warning: unused variable 'pspl' [-Wunused-variable] 82 | **pspl; | ^~~~ carter_parse.c:81:7: warning: unused variable 'psil' [-Wunused-variable] 81 | **psil, | ^~~~ carter_parse.c:80:66: warning: unused variable 'sc_drhol' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~~ carter_parse.c:80:56: warning: unused variable 'sc_drho' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ carter_parse.c:80:46: warning: unused variable 'sc_rhol' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ carter_parse.c:80:37: warning: unused variable 'sc_rho' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~ carter_parse.c:80:30: warning: unused variable 'tmp2' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~ carter_parse.c:80:24: warning: unused variable 'tmp' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~ carter_parse.c:80:19: warning: unused variable 'rl' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~ carter_parse.c:77:18: warning: unused variable 'l' [-Wunused-variable] 77 | int i,k,l,p,p1; | ^ carter_parse.c:76:15: warning: unused variable 'nl' [-Wunused-variable] 76 | int *nl; | ^~ carter_parse.c:74:12: warning: variable 'over_fourpi' set but not used [-Wunused-but-set-variable] 74 | double over_fourpi; | ^~~~~~~~~~~ Compiling qmmm_parse.c... qmmm_parse.c: In function 'qmmm_parse_': qmmm_parse.c:93:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 93 | int argc; | ^~~~ qmmm_parse.c:86:41: warning: unused variable 's_sigma' [-Wunused-variable] 86 | double rc,rc1,rc2,rr1,rr2,ttt,sss,s_sigma; | ^~~~~~~ Compiling get_word.c... get_word.c: In function 'get_line': get_word.c:33:8: warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] 33 | if (c=='\n') | ^ get_word.c:28:11: note: 'c' was declared here 28 | int c,i; | ^ Compiling name.c... Compiling loggrid.c... Compiling pred_cor.c... Compiling spline.c... Compiling grids.c... grids.c: In function 'dealloc_Grid': grids.c:142:42: warning: format '%lx' expects argument of type 'long unsigned int', but argument 2 has type 'double *' [-Wformat=] 142 | printf(" address: %lx\n", grid); | ~~^ ~~~~ | | | | | double * | long unsigned int grids.c:147:23: warning: format '%lx' expects argument of type 'long unsigned int', but argument 2 has type 'double *' [-Wformat=] 147 | printf("%lx ", cur->grid); | ~~^ ~~~~~~~~~ | | | | | double * | long unsigned int Compiling atom.c... atom.c: In function 'solve_Atom': atom.c:314:22: warning: unused variable 'sz' [-Wunused-variable] 314 | int it, converged, sz; | ^~ atom.c: In function 'solve_Scattering_State_Atom': atom.c:546:7: warning: unused variable 'st' [-Wunused-variable] 546 | int st; | ^~ atom.c: In function 'print_Atom': atom.c:640:10: warning: unused variable 'st' [-Wunused-variable] 640 | int i, st; | ^~ Compiling schrodin.c... Compiling pauli.c... pauli.c: In function 'R_Pauli_Fixed_E': pauli.c:365:5: warning: variable 'node' set but not used [-Wunused-but-set-variable] 365 | node, | ^~~~ Compiling dirac.c... schrodin.c: In function 'R_Schrodinger': schrodin.c:249:5: warning: 'de' may be used uninitialized [-Wmaybe-uninitialized] 249 | printf("R_Schrodinger: More than %d iterations, Eig=%le, de=%le\n",Max_Iterations,E,de); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ schrodin.c:46:16: note: 'de' was declared here 46 | double E, de, | ^~ dirac.c: In function 'R_Dirac': dirac.c:43:9: warning: unused variable 'L0' [-Wunused-variable] 43 | L2, L0, | ^~ dirac.c: In function 'R_Dirac_Fixed_E': dirac.c:319:33: warning: unused variable 'L0' [-Wunused-variable] 319 | log_amesh2, fss, gamma, L2, L0, r2, sum, *r, *f_upp, *dv, *frp, *fr, *upp; | ^~ dirac.c: In function 'R_Dirac_FixedLogDeriv': dirac.c:459:13: warning: unused variable 'scale' [-Wunused-variable] 459 | sum, a, scale, m1scale, | ^~~~~ dirac.c:459:10: warning: unused variable 'a' [-Wunused-variable] 459 | sum, a, scale, m1scale, | ^ dirac.c:457:9: warning: unused variable 'L0' [-Wunused-variable] 457 | L2, L0, | ^~ dirac.c:449:32: warning: unused variable 'Ninf' [-Wunused-variable] 449 | int i, j, iteration, node, Ninf, Ngrid; | ^~~~ Compiling zora.c... zora.c: In function 'R_ZORA': zora.c:45:9: warning: unused variable 'L0' [-Wunused-variable] 45 | L2, L0, | ^~ zora.c: In function 'R_ZORA_Fixed_E': zora.c:321:33: warning: unused variable 'L0' [-Wunused-variable] 321 | log_amesh2, fss, gamma, L2, L0, r2, sum, *r, *f_upp, *dv, *frp, *fr, *upp; | ^~ Compiling dft.c... dft.c: In function 'R_Screening_Cut': dft.c:140:13: warning: variable 'n0' set but not used [-Wunused-but-set-variable] 140 | int k,NN,n0,n1=0; | ^~ dft.c:162:22: warning: 'r0' may be used uninitialized [-Wmaybe-uninitialized] 162 | m = (v1-v0)/(r1-r0); | ~~~^~~~ dft.c:141:11: note: 'r0' was declared here 141 | double r0,r1=0.0,v0,v1=0.0,m,b; | ^~ dft.c:162:14: warning: 'v0' may be used uninitialized [-Wmaybe-uninitialized] 162 | m = (v1-v0)/(r1-r0); | ~~~^~~~ dft.c:141:21: note: 'v0' was declared here 141 | double r0,r1=0.0,v0,v1=0.0,m,b; | ^~ Compiling hartree.c... Compiling dirac_exchange.c... Compiling perdew_wang.c... perdew_wang.c: In function 'R_Perdew_Wang': perdew_wang.c:46:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 46 | double sevensixth; | ^~~~~~~~~~ perdew_wang.c:45:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 45 | double onesixth; | ^~~~~~~~ Compiling perdew_zunger.c... perdew_zunger.c: In function 'R_Perdew_Zunger': perdew_zunger.c:56:12: warning: variable 'two_to_onethird' set but not used [-Wunused-but-set-variable] 56 | double two_to_onethird; | ^~~~~~~~~~~~~~~ perdew_zunger.c:55:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 55 | double onethird,fourthird,twothird; | ^~~~~~~~ perdew_zunger.c:55:21: warning: variable 'fourthird' set but not used [-Wunused-but-set-variable] 55 | double onethird,fourthird,twothird; | ^~~~~~~~~ Compiling vosko.c... vosko.c: In function 'R_Vosko': vosko.c:86:12: warning: variable 'two_to_onethird' set but not used [-Wunused-but-set-variable] 86 | double two_to_onethird; | ^~~~~~~~~~~~~~~ vosko.c:85:40: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 85 | double onesixth,onethird,fourthird,twothird; | ^~~~~~~~ vosko.c:85:30: warning: variable 'fourthird' set but not used [-Wunused-but-set-variable] 85 | double onesixth,onethird,fourthird,twothird; | ^~~~~~~~~ Compiling pbe_exchange.c... pbe_exchange.c: In function 'R_PBE96_Exchange': pbe_exchange.c:41:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 41 | double onethird,fourthird,twothird; | ^~~~~~~~ Compiling pbe_correlation.c... pbe_correlation.c: In function 'R_PBE96_Correlation': pbe_correlation.c:50:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 50 | double sevensixth; | ^~~~~~~~~~ pbe_correlation.c:49:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 49 | double onesixth; | ^~~~~~~~ Compiling revpbe_exchange.c... revpbe_exchange.c: In function 'R_revPBE_Exchange': revpbe_exchange.c:41:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 41 | double onethird,fourthird,twothird; | ^~~~~~~~ Compiling revpbe_correlation.c... revpbe_correlation.c: In function 'R_revPBE_Correlation': revpbe_correlation.c:52:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 52 | double sevensixth; | ^~~~~~~~~~ revpbe_correlation.c:51:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 51 | double onesixth; | ^~~~~~~~ Compiling becke_exchange.c... becke_exchange.c: In function 'R_Becke_Exchange': becke_exchange.c:61:13: warning: variable 'G2dr' set but not used [-Wunused-but-set-variable] 61 | double *G2dr; | ^~~~ becke_exchange.c:59:13: warning: variable 'G2' set but not used [-Wunused-but-set-variable] 59 | double *G2; | ^~ becke_exchange.c:39:41: warning: unused variable 'two_onethird' [-Wunused-variable] 39 | double rho_fourthirds,rho_onethird, two_onethird; | ^~~~~~~~~~~~ becke_exchange.c:37:24: warning: unused variable 'z1' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:21: warning: unused variable 'z2' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:18: warning: unused variable 'z3' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:15: warning: unused variable 'z4' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:12: warning: unused variable 'z5' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:36:21: warning: unused variable 'ddamp' [-Wunused-variable] 36 | double lap,damp,ddamp; | ^~~~~ becke_exchange.c:36:16: warning: unused variable 'damp' [-Wunused-variable] 36 | double lap,damp,ddamp; | ^~~~ becke_exchange.c:35:12: warning: unused variable 'norm' [-Wunused-variable] 35 | double norm; | ^~~~ Compiling lyp_correlation.c... lyp_correlation.c: In function 'R_LYP_Correlation': lyp_correlation.c:37:12: warning: unused variable 'norm' [-Wunused-variable] 37 | double norm; | ^~~~ lyp_correlation.c:27:12: warning: variable 'smallnumber' set but not used [-Wunused-but-set-variable] 27 | double smallnumber; | ^~~~~~~~~~~ Compiling hamann.c... Compiling troullier.c... hamann.c: In function 'solve_Hamann': hamann.c:455:5: warning: 'w1l_prime' may be used uninitialized [-Wmaybe-uninitialized] 455 | R_Screening_Cut(Vc); | ^~~~~~~~~~~~~~~~~~~ hamann.c:209:23: note: 'w1l_prime' was declared here 209 | double *w1l,*w1l_prime, | ^~~~~~~~~ troullier.c: In function 'solve_Troullier': troullier.c:191:20: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 191 | double al,amesh,rmax,Zion; | ^~~~~ Compiling xpansion.c... Compiling gaussj.c... gaussj.c: In function 'gaussj': gaussj.c:62:12: warning: 'icol' may be used uninitialized [-Wmaybe-uninitialized] 62 | if (irow != icol) | ^ gaussj.c:27:9: note: 'icol' was declared here 27 | int icol,irow; | ^~~~ gaussj.c:62:12: warning: 'irow' may be used uninitialized [-Wmaybe-uninitialized] 62 | if (irow != icol) | ^ gaussj.c:27:14: note: 'irow' was declared here 27 | int icol,irow; | ^~~~ Compiling vanderbilt.c... xpansion.c: In function 'get_c0_c10': xpansion.c:341:28: warning: 'ddelta' may be used uninitialized [-Wmaybe-uninitialized] 341 | ddelta = -fdnew*ddelta/(fdnew-fdold); | ~~~~~~^~~~~~~ xpansion.c:281:12: note: 'ddelta' was declared here 281 | double ddelta; | ^~~~~~ vanderbilt.c: In function 'solve_Vanderbilt': vanderbilt.c:209:20: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 209 | double al,amesh,Zion; | ^~~~~ xpansion.c: In function 'get_c0_c12': xpansion.c:434:28: warning: 'ddelta' may be used uninitialized [-Wmaybe-uninitialized] 434 | ddelta = -fdnew*ddelta/(fdnew-fdold); | ~~~~~~^~~~~~~ xpansion.c:376:12: note: 'ddelta' was declared here 376 | double ddelta; | ^~~~~~ Compiling xpansion2.c... xpansion2.c: In function 'dp_xpansion2': xpansion2.c:61:30: warning: variable 'r11' set but not used [-Wunused-but-set-variable] 61 | double r1,r2,r3,r5,r7,r9,r11; | ^~~ xpansion2.c: In function 'ddp_xpansion2': xpansion2.c:89:27: warning: variable 'r10' set but not used [-Wunused-but-set-variable] 89 | double r1,r2,r4,r6,r8,r10; | ^~~ xpansion2.c: In function 'dddp_xpansion2': xpansion2.c:115:27: warning: variable 'r9' set but not used [-Wunused-but-set-variable] 115 | double r1,r2,r3,r5,r7,r9; | ^~ xpansion2.c: In function 'ddddp_xpansion2': xpansion2.c:139:24: warning: variable 'r8' set but not used [-Wunused-but-set-variable] 139 | double r1,r2,r4,r6,r8; | ^~ Compiling psp1d.c... Compiling generate_rho_semicore.c... Compiling debug.c... Compiling rhamann.c... rhamann.c: In function 'Suggested_Param_RelHamann': rhamann.c:50:17: warning: unused variable 'itmp' [-Wunused-variable] 50 | int p, npsps, itmp; | ^~~~ Compiling rtroullier.c... rtroullier.c: In function 'solve_RelTroullier': rtroullier.c:173:14: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 173 | double al, amesh, rmax, Zion; | ^~~~~ rhamann.c: In function 'solve_RelHamann': rhamann.c:423:3: warning: 'w1l_prime' may be used uninitialized [-Wmaybe-uninitialized] 423 | R_Correlation_DFT (f, Vc, &ec, &pc); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ rhamann.c:193:17: note: 'w1l_prime' was declared here 193 | double *w1l, *w1l_prime, *w2l, *w2l_prime; | ^~~~~~~~~ Compiling rpsp.c... rpsp.c: In function 'init_RelPsp': rpsp.c:76:13: warning: unused variable 'tc' [-Wunused-variable] 76 | char *w, *tc; | ^~ rpsp.c:73:14: warning: unused variable 'p2' [-Wunused-variable] 73 | int p, p1, p2; | ^~ rpsp.c:73:10: warning: unused variable 'p1' [-Wunused-variable] 73 | int p, p1, p2; | ^~ rpsp.c: At top level: rpsp.c:53:23: warning: 'clocal' defined but not used [-Wunused-variable] 53 | static double rlocal, clocal; | ^~~~~~ rpsp.c:53:15: warning: 'rlocal' defined but not used [-Wunused-variable] 53 | static double rlocal, clocal; | ^~~~~~ Making all in paw_atom make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/pseudopotential/paw_atom' Compiling paw_atom_driver.c... paw_atom_driver.c: In function 'paw_atom_driver_': paw_atom_driver.c:116:11: warning: unused variable 'full_filename' [-Wunused-variable] 116 | char *full_filename = (char *) malloc(m9+25+5); | ^~~~~~~~~~~~~ paw_atom_driver.c:103:14: warning: unused variable 'argc' [-Wunused-variable] 103 | int argc; | ^~~~ paw_atom_driver.c:102:14: warning: unused variable 'comment' [-Wunused-variable] 102 | char comment[255]; | ^~~~~~~ paw_atom_driver.c:100:13: warning: unused variable 'fp' [-Wunused-variable] 100 | FILE *fp; | ^~ paw_atom_driver.c:99:16: warning: unused variable 'tc' [-Wunused-variable] 99 | char *w,*tc; | ^~ paw_atom_driver.c:99:13: warning: unused variable 'w' [-Wunused-variable] 99 | char *w,*tc; | ^ paw_atom_driver.c:96:32: warning: unused variable 'pi' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~ paw_atom_driver.c:96:26: warning: unused variable 'qchrg' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~~~~ paw_atom_driver.c:96:20: warning: unused variable 'fchrg' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~~~~ paw_atom_driver.c:96:14: warning: unused variable 'rchrg' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~~~~ paw_atom_driver.c:95:35: warning: unused variable 'e999' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~~ paw_atom_driver.c:95:31: warning: unused variable 'e99' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~ paw_atom_driver.c:95:21: warning: unused variable 'rcore' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~~~ paw_atom_driver.c:95:14: warning: unused variable 'r2well' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~~~~ paw_atom_driver.c:94:29: warning: unused variable 'pspxc' [-Wunused-variable] 94 | int pspdat,pspcode,pspxc; | ^~~~~ paw_atom_driver.c:94:21: warning: unused variable 'pspcode' [-Wunused-variable] 94 | int pspdat,pspcode,pspxc; | ^~~~~~~ paw_atom_driver.c:94:14: warning: unused variable 'pspdat' [-Wunused-variable] 94 | int pspdat,pspcode,pspxc; | ^~~~~~ paw_atom_driver.c:93:14: warning: unused variable 'n' [-Wunused-variable] 93 | int n[10]; | ^ paw_atom_driver.c:92:17: warning: unused variable 'xx' [-Wunused-variable] 92 | double r0,xx; | ^~ paw_atom_driver.c:92:14: warning: unused variable 'r0' [-Wunused-variable] 92 | double r0,xx; | ^~ paw_atom_driver.c:91:24: warning: unused variable 'lmaxp' [-Wunused-variable] 91 | int lmax,locp,lmaxp; | ^~~~~ paw_atom_driver.c:91:19: warning: unused variable 'locp' [-Wunused-variable] 91 | int lmax,locp,lmaxp; | ^~~~ paw_atom_driver.c:91:14: warning: unused variable 'lmax' [-Wunused-variable] 91 | int lmax,locp,lmaxp; | ^~~~ paw_atom_driver.c:89:18: warning: unused variable 'rmax' [-Wunused-variable] 89 | double drl,rmax; | ^~~~ paw_atom_driver.c:89:14: warning: unused variable 'drl' [-Wunused-variable] 89 | double drl,rmax; | ^~~ paw_atom_driver.c:88:7: warning: unused variable 'pspl' [-Wunused-variable] 88 | **pspl; | ^~~~ paw_atom_driver.c:87:7: warning: unused variable 'psil' [-Wunused-variable] 87 | **psil, | ^~~~ paw_atom_driver.c:86:66: warning: unused variable 'sc_drhol' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~~ paw_atom_driver.c:86:56: warning: unused variable 'sc_drho' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ paw_atom_driver.c:86:46: warning: unused variable 'sc_rhol' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ paw_atom_driver.c:86:37: warning: unused variable 'sc_rho' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~ paw_atom_driver.c:86:30: warning: unused variable 'tmp2' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~ paw_atom_driver.c:86:24: warning: unused variable 'tmp' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~ paw_atom_driver.c:86:19: warning: unused variable 'rl' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~ paw_atom_driver.c:85:27: warning: unused variable 'psp' [-Wunused-variable] 85 | double *rgrid,*psi,*psp; | ^~~ paw_atom_driver.c:85:22: warning: unused variable 'psi' [-Wunused-variable] 85 | double *rgrid,*psi,*psp; | ^~~ paw_atom_driver.c:85:15: warning: unused variable 'rgrid' [-Wunused-variable] 85 | double *rgrid,*psi,*psp; | ^~~~~ paw_atom_driver.c:84:20: warning: unused variable 'nrl' [-Wunused-variable] 84 | int Ngrid,nrl; | ^~~ paw_atom_driver.c:84:14: warning: unused variable 'Ngrid' [-Wunused-variable] 84 | int Ngrid,nrl; | ^~~~~ paw_atom_driver.c:83:22: warning: unused variable 'p1' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^~ paw_atom_driver.c:83:20: warning: unused variable 'p' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:83:18: warning: unused variable 'l' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:83:16: warning: unused variable 'k' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:83:14: warning: unused variable 'i' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:82:15: warning: unused variable 'nl' [-Wunused-variable] 82 | int *nl; | ^~ paw_atom_driver.c:80:12: warning: unused variable 'over_fourpi' [-Wunused-variable] 80 | double over_fourpi; | ^~~~~~~~~~~ paw_atom_driver.c:79:20: warning: unused variable 'zion' [-Wunused-variable] 79 | double zatom,zion; /* local psp parameters */ | ^~~~ paw_atom_driver.c:79:14: warning: unused variable 'zatom' [-Wunused-variable] 79 | double zatom,zion; /* local psp parameters */ | ^~~~~ paw_atom_driver.c:76:14: warning: variable 'rlocal_out' set but not used [-Wunused-but-set-variable] 76 | double rlocal_out; | ^~~~~~~~~~ paw_atom_driver.c:75:23: warning: variable 'locp_out' set but not used [-Wunused-but-set-variable] 75 | int lmax_out,locp_out; | ^~~~~~~~ paw_atom_driver.c:75:14: warning: variable 'lmax_out' set but not used [-Wunused-but-set-variable] 75 | int lmax_out,locp_out; | ^~~~~~~~ Compiling paw_atom.c... paw_atom.c: In function 'paw_init_paw_atom': paw_atom.c:316:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] 316 | double *rgrid; | ^~~~~ Compiling paw_basis.c... paw_basis.c: In function 'paw_init_paw_basis': paw_basis.c:116:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] 116 | double *rgrid; | ^~~~~ paw_basis.c: In function 'paw_generate_projectors_vanderbilt': paw_basis.c:645:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] 645 | double max_phi; | ^~~~~~~ paw_basis.c: In function 'paw_generate_projectors_blochl': paw_basis.c:854:14: warning: variable 'test_matrix' set but not used [-Wunused-but-set-variable] 854 | double **test_matrix; | ^~~~~~~~~~~ paw_basis.c:843:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] 843 | double max_phi; | ^~~~~~~ paw_basis.c: In function 'paw_scattering_test': paw_basis.c:1453:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] 1453 | int Ngrid; | ^~~~~ Compiling paw_scattering.c... paw_scattering.c: In function 'paw_solve_paw_scattering': paw_scattering.c:110:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] 110 | int Ngrid; | ^~~~~ Compiling paw_schrodin.c... Compiling paw_pauli.c... paw_pauli.c: In function 'paw_R_Pauli_Fixed_E': paw_pauli.c:356:5: warning: variable 'node' set but not used [-Wunused-but-set-variable] 356 | node, | ^~~~ Compiling paw_orbitals.c... paw_orbitals.c: In function 'paw_solve_scattering_orbitals': paw_orbitals.c:453:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] 453 | double *rgrid; | ^~~~~ Compiling paw_kinetic_energy.c... Compiling paw_potential.c... paw_orbitals.c: In function 'paw_print_orbitals_to_file': paw_orbitals.c:683:26: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 683 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~ paw_orbitals.c:683:23: note: assuming directive output of 8 bytes 683 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~ paw_orbitals.c:683:9: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 683 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_orbitals.c:691:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 691 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~ paw_orbitals.c:691:27: note: assuming directive output of 8 bytes 691 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~ paw_orbitals.c:691:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 691 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_orbitals.c:729:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 729 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~ paw_orbitals.c:729:27: note: assuming directive output of 8 bytes 729 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~ paw_orbitals.c:729:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 729 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_potential.c: In function 'paw_print_paw_potential_to_file': paw_potential.c:649:9: warning: pointer 'fp' used after 'fclose' [-Wuse-after-free] 649 | fclose(fp); | ^~~~~~~~~~ paw_potential.c:647:9: note: call to 'fclose' here 647 | fclose(fp); | ^~~~~~~~~~ paw_basis.c: In function 'paw_print_basis_to_file': paw_basis.c:1217:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 1217 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~ paw_basis.c:1217:27: note: assuming directive output of 8 bytes 1217 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~ paw_basis.c:1217:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 1217 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_basis.c: In function 'paw_print_basis_test_to_file': paw_basis.c:1299:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 1299 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~ paw_basis.c:1299:27: note: assuming directive output of 8 bytes 1299 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~ paw_basis.c:1299:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 1299 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Compiling paw_dirac_exchange.c... Compiling paw_vosko.c... Compiling paw_hartree.c... Compiling paw_core.c... Compiling paw_comp_charge.c... Compiling paw_ion.c... Compiling paw_matrix_elements.c... Compiling paw_pred_cor.c... Compiling paw_loggrid.c... Compiling paw_bisect.c... Compiling paw_error_function.c... Compiling paw_get_inverse.c... Compiling paw_my_constants.c... Compiling paw_utilities.c... Compiling paw_output.c... paw_output.c: In function 'paw_generate_basis_file': paw_output.c:39:14: warning: variable 'psi_ps0' set but not used [-Wunused-but-set-variable] 39 | double** psi_ps0; | ^~~~~~~ paw_output.c:26:12: warning: variable 'tmp' set but not used [-Wunused-but-set-variable] 26 | double tmp; | ^~~ Compiling paw_sdir.c... Compiling paw_my_memory.c... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/pseudopotential/paw_atom' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a paw_atom_driver.o paw_atom.o paw_basis.o paw_scattering.o paw_schrodin.o paw_pauli.o paw_orbitals.o paw_kinetic_energy.o paw_potential.o paw_dirac_exchange.o paw_vosko.o paw_hartree.o paw_core.o paw_comp_charge.o paw_ion.o paw_matrix_elements.o paw_pred_cor.o paw_loggrid.o paw_bisect.o paw_error_function.o paw_get_inverse.o paw_my_constants.o paw_utilities.o paw_output.o paw_sdir.o paw_my_memory.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/pseudopotential' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a psp_generator_input.o pspsolve.o hgh_parse.o cpi_parse.o teter_parse.o carter_parse.o qmmm_parse.o get_word.o name.o loggrid.o pred_cor.o spline.o grids.o atom.o schrodin.o pauli.o dirac.o zora.o dft.o hartree.o dirac_exchange.o perdew_wang.o perdew_zunger.o vosko.o pbe_exchange.o pbe_correlation.o revpbe_exchange.o revpbe_correlation.o becke_exchange.o lyp_correlation.o hamann.o troullier.o xpansion.o gaussj.o vanderbilt.o xpansion2.o psp1d.o generate_rho_semicore.o debug.o rhamann.o rtroullier.o rpsp.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/pseudopotential' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/pseudopotential' Making all in utilities make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/utilities' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/utilities' Making all in paw_utilities make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/utilities/paw_utilities' Compiling nwpw_filefind.F... make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/utilities/paw_utilities' Compiling nwpw_scratch.F... Compiling nwpw_list.F... Compiling nwpw_scf_mixing.F... Compiling nwpw_spline.F... Compiling nwpw_interp.F... Compiling kerker_G.F... Compiling cpmd_properties.F... cpmd_properties.F:163:36: 31 | if (.not.btdb_get(rtdb,'nwpw:cpmd_properties',mt_log,1,doit)) | 2 ...... 163 | > mt_dbl,9,unita)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling nwpw_rdf.F... Compiling nwpw_gaunt.F... Compiling pair_dist.F... Compiling nwpw_compcharge.F... Compiling pair_dist2.F... Compiling nwpw_gintegrals3.F... Compiling pair_distab.F... pair_distab.F:61:43: 60 | call Parallel_Brdcst_values(MASTER,1,volume) | 2 61 | call Parallel_Brdcst_values(MASTER,9,unita) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling nwpw_xc.F... nwpw_compcharge.F:1606:55: 974 | > dbl_mb(tmp(1))) | 2 ...... 1606 | call Parallel_shared_vector_zero(.true.,2*npack0,v_smooth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_compcharge.F:2098:34: 754 | call ycopy(nray,0.0d0,0,vlray,1) | 2 ...... 2098 | call ycopy(2*npack0,0.0d0,0,dng_smooth,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_compcharge.F:4276:72: 4276 | call ycopy(3*nion_paw,0.0d0,0,dbl_mb(fmult(1))) | 1 Warning: Missing actual argument for argument '_formal_74' at (1) Compiling auto_corr.F... Compiling nwpw_vosko.F... Compiling generate_unfolded_xyz.F... Compiling matrix.f... Compiling nwpw_gga.F... Compiling nwpw_SpecialKummer.F... Compiling simp.F... Compiling nwpw_GaussBessel.F... Compiling is_sORd.F... Compiling nwpw_WGaussian.F... Compiling psi_filefind.F... Compiling nwpw_gauss_weights.F... Compiling v_psi_filefind.F... Compiling getfilling.F... Compiling CIF_write.F... Compiling densityofstates.F... nwpw_compcharge.F:1260:72: 1260 | > dbl_mb(tmp(1))) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:16: 1136 | integer Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:1262:72: 1262 | > dbl_mb(tmp(1)+1)) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:19: 1136 | integer Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:1264:72: 1264 | > dbl_mb(tmp(1)+2)) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:22: 1136 | integer Gx,Gy,Gz | ^ note: 'gz' was declared here Compiling MOTION_nframes.F... Compiling spdf_name.F... Compiling cell.F... Compiling cellgeometry.F... Compiling cpsi_data.F... cpsi_data.F:529:36: 286 | call ycopy(nsize,psi,1,dbl_mb(shift),1) | 2 ...... 529 | call ycopy(nbrill*neall*nsize,0.0d0,0,dbl_mb(indx1),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling psi_data.F... Compiling butter.F... Compiling print_elapsed_time.F... nwpw_compcharge.F:4476:72: 4476 | > dbl_mb(tmp(1))) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4373:44: 4373 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:4478:72: 4478 | > dbl_mb(tmp(1)+1)) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4373:47: 4373 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:4480:72: 4480 | > dbl_mb(tmp(1)+2)) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4373:50: 4373 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gz' was declared here Compiling log_integrate.F... nwpw_compcharge.F:4728:72: 4728 | > dbl_mb(tmp(1))) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4644:33: 4644 | integer indx,indx1,indx2,Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:4730:72: 4730 | > dbl_mb(tmp(1)+1)) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4644:36: 4644 | integer indx,indx1,indx2,Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:4732:72: 4732 | > dbl_mb(tmp(1)+2)) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4644:39: 4644 | integer indx,indx1,indx2,Gx,Gy,Gz | ^ note: 'gz' was declared here Compiling nwpw_parse.F... nwpw_compcharge.F:5438:72: 5438 | call Pack_tt_idot(0,dbl_mb(Gx),dbl_mb(gvtmp(1)),e1x) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:5348:44: 5348 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:5439:72: 5439 | call Pack_tt_idot(0,dbl_mb(Gy),dbl_mb(gvtmp(1)),e1y) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:5348:47: 5348 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:5440:72: 5440 | call Pack_tt_idot(0,dbl_mb(Gz),dbl_mb(gvtmp(1)),e1z) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:5348:50: 5348 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gz' was declared here Compiling nwpw_matrix_invert.F... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/utilities/paw_utilities' Compiling analysis_expansion_coef.F... analysis_expansion_coef.F:70:49: 65 | if (.not. btdb_put(rtdb,id,mt_int,1,lorb)) | 2 ...... 70 | if (.not. btdb_put(rtdb,id,mt_dbl,(lorb+1),b0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/utilities/paw_utilities' Compiling nwpw_double_factorial.F... Compiling nwpw_kbpp_ray.F... Compiling nwpw_talker.c... nwpw_talker.c: In function 'nwpw_talker_': nwpw_talker.c:62:19: warning: unused variable 'valread' [-Wunused-variable] 62 | int sock = 0, valread; | ^~~~~~~ nwpw_talker.c: In function 'nwpw_listener_': nwpw_talker.c:250:19: warning: variable 'valread' set but not used [-Wunused-but-set-variable] 250 | int sock = 0, valread; | ^~~~~~~ Compiling nwpw_expression.F... nwpw_expression.F:79:60: 67 | value = btdb_put(rtdb,rtdb_name,mt_int,1,nemach) | 2 ...... 79 | value = value.and.btdb_put(rtdb,rtdb_name,mt_int,5*nc,code) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpw_expression.F:82:58: 67 | value = btdb_put(rtdb,rtdb_name,mt_int,1,nemach) | 2 ...... 82 | value = value.and.btdb_put(rtdb,rtdb_name,mt_dbl,nf,fconst) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). nwpw_expression.F:143:48: 63 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,nemach)) nemach = 0 | 2 ...... 143 | if (.not.btdb_get(rtdb,rtdb_name,mt_log,1,started)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling nwpw_emachine.c... nwpw_emachine.c: In function 'nwpw_gencode': nwpw_emachine.c:188:40: warning: unused variable 'tmpss' [-Wunused-variable] 188 | char lexpr[500],rexpr[500],tmps[10],tmpss[10]; | ^~~~~ nwpw_emachine.c:188:31: warning: unused variable 'tmps' [-Wunused-variable] 188 | char lexpr[500],rexpr[500],tmps[10],tmpss[10]; | ^~~~ nwpw_emachine.c: In function 'nwpw_emachine': nwpw_emachine.c:482:30: warning: unused variable 'arg4' [-Wunused-variable] 482 | Integer op,arg1,arg2,arg3,arg4,ln1,ln2; | ^~~~ nwpw_emachine.c: In function 'nwpw_fmachine': nwpw_emachine.c:673:30: warning: unused variable 'arg4' [-Wunused-variable] 673 | Integer op,arg1,arg2,arg3,arg4,ln1,ln2; | ^~~~ nwpw_emachine.c: In function 'nwpw_emachine_parse_': nwpw_emachine.c:971:8: warning: unused variable 'i' [-Wunused-variable] 971 | int i; | ^ Compiling BA_memory.F... Compiling btdb.F... Compiling beom.F... Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a nwpw_gaunt.o nwpw_compcharge.o nwpw_gintegrals3.o nwpw_xc.o nwpw_vosko.o nwpw_gga.o nwpw_SpecialKummer.o nwpw_GaussBessel.o nwpw_WGaussian.o nwpw_gauss_weights.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/utilities/paw_utilities' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/utilities/paw_utilities' Compiling task_paulsmatrix.F... Compiling nwpw_cosmo.F... nwpw_cosmo.F:49:50: 49 | if (.not.btdb_get(rtdb,'slv:cosmo',mt_log,1,cosmo_on)) | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). nwpw_cosmo.F:86:57: 86 | if (.not.btdb_get(rtdb,'cosmo:gcds',mt_dbl,1,gcds)) gcds = 0.0d0 | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:88:56: 88 | if (.not.btdb_get(rtdb,'cosmo:dielec',mt_dbl,1,dielec)) | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:134:34: 134 | > mt_dbl,1,qthresh)) then | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:144:34: 144 | > mt_dbl,1,qalpha)) then | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:180:61: 180 | if(.not.btdb_get(rtdb,'nwpw_cosmo:Qion',mt_dbl,1,Qion)) | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:182:61: 182 | if(.not.btdb_get(rtdb,'nwpw_cosmo:Qelc',mt_dbl,1,Qelc)) | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:256:58: 254 | value = btdb_put(rtdb,'nwpw_cosmo:Qt',mt_log,1,(Qt.and.Qt0)) | 2 255 | value = value.and. 256 | > btdb_put(rtdb,'nwpw_cosmo:Qion',mt_dbl,1,Qion) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling nwpw_born.F... nwpw_born.F:156:60: 148 | if (.not.btdb_get(rtdb,'nwpw:born_relax',mt_log,1,born_relax)) | 2 ...... 156 | if (.not.btdb_get(rtdb,'nwpw:born_dielec',mt_dbl,1,dielec)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling nwpw_cdft.F... nwpw_cdft.F:65:32: 51 | if (.not.btdb_get(rtdb,'nwpw:cdft',mt_log,1,cdft_on)) | 2 ...... 65 | > nion,dbl_mb(qcdft(1)))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling nwpw_fftpack3d.F... nwpw_fftpack3d.F:246:21: 50 | call dcffti(nz,tmp(tz)) | 2 ...... 246 | call dcffti(nz,tmp(tz)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:250:23: 54 | call jcopy(nz,A(indx),inc3c,tmp,1) | 2 ...... 250 | call jcopy(nz,A(indx),inc3c,tmp,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:250:37: 54 | call jcopy(nz,A(indx),inc3c,tmp,1) | 2 ...... 250 | call jcopy(nz,A(indx),inc3c,tmp,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:251:24: 55 | call dcfftb(nz,tmp,tmp(tz)) | 2 ...... 251 | call dcfftb(nz,tmp,tmp(tz)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:251:28: 55 | call dcfftb(nz,tmp,tmp(tz)) | 2 ...... 251 | call dcfftb(nz,tmp,tmp(tz)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:344:24: 175 | call dcfftf(ny,tmp,tmp(ty)) | 2 ...... 344 | call dcfftf(nx,tmp,tmp(tx)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:344:28: 175 | call dcfftf(ny,tmp,tmp(ty)) | 2 ...... 344 | call dcfftf(nx,tmp,tmp(tx)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/utilities' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/utilities' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a nwpw_filefind.o nwpw_scratch.o nwpw_list.o nwpw_scf_mixing.o nwpw_spline.o nwpw_interp.o kerker_G.o cpmd_properties.o nwpw_rdf.o pair_dist.o pair_dist2.o pair_distab.o auto_corr.o generate_unfolded_xyz.o matrix.o simp.o is_sORd.o psi_filefind.o v_psi_filefind.o getfilling.o CIF_write.o densityofstates.o MOTION_nframes.o spdf_name.o cell.o cellgeometry.o cpsi_data.o psi_data.o butter.o print_elapsed_time.o log_integrate.o nwpw_parse.o nwpw_matrix_invert.o analysis_expansion_coef.o nwpw_double_factorial.o nwpw_kbpp_ray.o nwpw_talker.o nwpw_expression.o nwpw_emachine.o BA_memory.o btdb.o beom.o task_paulsmatrix.o nwpw_cosmo.o nwpw_born.o nwpw_cdft.o nwpw_fftpack3d.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/utilities' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/utilities' Making all in unitcell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/unitcell' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/unitcell' Compiling simulation_cell_input.F... simulation_cell_input.F:411:49: 403 | if (.not. rtdb_put(rtdb,rtdb_name,mt_dbl,9,unita)) | 2 ...... 411 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,3,ngrid)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). simulation_cell_input.F:430:49: 403 | if (.not. rtdb_put(rtdb,rtdb_name,mt_dbl,9,unita)) | 2 ...... 430 | if (.not. rtdb_put(rtdb,rtdb_name,mt_dbl,1,box_delta)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/unitcell' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/unitcell' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a simulation_cell_input.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/unitcell' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/unitcell' Making all in brillouin_zone make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/brillouin_zone' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/brillouin_zone' Compiling brillouin_zone_input.F... brillouin_zone_input.F:157:26: 141 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 157 | > dbl_mb(kvs(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). brillouin_zone_input.F:272:49: 141 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 272 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,3,nn)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) brillouin_zone_input.F:416:49: 141 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 416 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,3,nn)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling brillioun.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/brillouin_zone' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/brillouin_zone' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a brillouin_zone_input.o brillioun.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/brillouin_zone' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/brillouin_zone' Making all in fractional make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/fractional' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/fractional' Compiling fractional.F... Compiling frac_occ_input.F... frac_occ_input.F:126:26: 106 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,norbs)) | 2 ...... 126 | > dbl_mb(occ(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling frac_occ.F... frac_occ.F:54:26: 31 | if (.not. btdb_get(rtdb,rtdb_name,mt_int,1,num_states)) | 2 ...... 54 | > dbl_mb(occ(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/fractional' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/fractional' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a fractional.o frac_occ_input.o frac_occ.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/fractional' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/fractional' Making all in linesearch make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/linesearch' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/linesearch' Compiling linesearch.F... Compiling Order_Values.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/linesearch' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/linesearch' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a linesearch.o Order_Values.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/linesearch' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/linesearch' Making all in timing make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/timing' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/timing' Compiling nwpw_timing.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/timing' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/timing' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a nwpw_timing.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/timing' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/timing' Making all in ewald make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ewald' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ewald' Compiling ewald.F... Compiling ewald_strfac.F... ewald.F:605:11: 605 | do i=ion_nion_qm(1)+1,ion_nion() | 1 Warning: More actual than formal arguments in procedure call at (1) ewald.F:955:52: 792 | > dcpl_mb(s(1))) | 2 ...... 955 | call Parallel_shared_vector_zero(.false.,nion,dbl_mb(fx(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ewald.F:1179:39: 364 | call ycopy(3*enpack,0.0d0,0,dbl_mb(eG(1)),1) | 2 ...... 1179 | call ycopy((2*enpack),0.0d0,0,dcpl_mb(strf(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ewald.F:1127:23: 1127 | integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) | ^ Warning: 'f[0]' may be used uninitialized [-Wmaybe-uninitialized] ewald.F:1694:23: 1694 | integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) | ^ Warning: 'f[0]' may be used uninitialized [-Wmaybe-uninitialized] ewald.F:2255:23: 2255 | integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) | ^ Warning: 'f[0]' may be used uninitialized [-Wmaybe-uninitialized] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ewald' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ewald' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a ewald.o ewald_strfac.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ewald' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ewald' Making all in thermostats make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/thermostats' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/thermostats' Compiling nose-hoover.F... nose-hoover.F:65:52: 62 | if (.not.btdb_get(rtdb,'cpmd:nose_restart',mt_log,1,nosers)) | 2 ...... 65 | if (.not.btdb_get(rtdb,'cpmd:Mchain',mt_int,1,Mchain)) Mchain = 1 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). nose-hoover.F:238:51: 237 | value = value.and.btdb_put(rtdb,'cpmd:eke0',mt_dbl,1,eke0_init) | 2 238 | > .and.btdb_put(rtdb,'cpmd:Mchain',mt_int,1,Mchain) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/thermostats' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/thermostats' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a nose-hoover.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/thermostats' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/thermostats' Making all in MetaDynamics make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/MetaDynamics' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/MetaDynamics' Compiling metadynamics_input.F... metadynamics_input.F:272:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 272 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:280:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 280 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:286:34: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 286 | > nparammeta,dbl_mb(parammeta(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). metadynamics_input.F:300:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 300 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:302:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 302 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:378:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 378 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:386:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 386 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:406:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 406 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:408:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 408 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:487:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 487 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:495:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 495 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:515:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 515 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:517:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 517 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:666:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 666 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:674:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 674 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:694:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 694 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:696:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 696 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:795:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 795 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:803:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 803 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:823:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 823 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:825:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 825 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:904:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 904 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:912:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 912 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:932:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 932 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:934:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 934 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1022:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1022 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1030:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1030 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1050:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1050 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1052:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1052 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1055:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1055 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1057:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1057 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1059:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1059 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metarayshift) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1061:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1061 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metaraycount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1064:49: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1064 | > rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetaprintcount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1146:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1146 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1154:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1154 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1174:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1174 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1176:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1176 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1288:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1288 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1296:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1296 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1316:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1316 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1318:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1318 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1402:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1402 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1410:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1410 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1430:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1430 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1432:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1432 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1510:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1510 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1518:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1518 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1538:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1538 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1540:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1540 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1696:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1696 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1704:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1704 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1724:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1724 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1726:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1726 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1802:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1802 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1810:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1810 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1830:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1830 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1832:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1832 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1955:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1955 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1963:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1963 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1983:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1983 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1985:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1985 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2066:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2066 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2074:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2074 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2094:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2094 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2096:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2096 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling metadynamics_aux.F... metadynamics_aux.F:227:14: 227 | C1 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:229:14: 229 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:243:20: 243 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:255:17: 255 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:306:14: 306 | C1 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:308:14: 308 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:336:20: 336 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:368:17: 368 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) Compiling metadynamics.F... metadynamics.F:71:51: 44 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,maxmetaprintcount)) | 2 ...... 71 | if (.not.btdb_get(rtdb,rtdb_name,mt_dbl,1,dTtempered)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). metadynamics.F:648:41: 625 | value= value.and.btdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 2 ...... 648 | > nxmeta_all,dbl_mb(ymeta(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/MetaDynamics' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/MetaDynamics' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a metadynamics_input.o metadynamics_aux.o metadynamics.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/MetaDynamics' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/MetaDynamics' Making all in TAMD make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/TAMD' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/TAMD' Compiling tamd_input.F... tamd_input.F:195:47: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 195 | value = rtdb_put(rtdb,rtdb_name,mt_log,1,zfixed) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tamd_input.F:320:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 320 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:328:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 328 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:348:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 348 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:350:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 350 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:452:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 452 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:460:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 460 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:480:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 480 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:482:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 482 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:585:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 585 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:593:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 593 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:613:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 613 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:615:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 615 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:800:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 800 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:808:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 808 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:828:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 828 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:830:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 830 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:950:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 950 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:958:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 958 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:978:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 978 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:980:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 980 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1084:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1084 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1092:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1092 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1112:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1112 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1114:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1114 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1202:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1202 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1210:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1210 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1230:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1230 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1232:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1232 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1235:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1235 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1237:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1237 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1239:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1239 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metarayshift) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1241:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1241 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metaraycount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1244:49: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1244 | > rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetaprintcount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1326:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1326 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1334:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1334 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1354:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1354 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1356:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1356 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1468:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1468 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1476:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1476 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1496:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1496 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1498:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1498 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1582:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1582 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1590:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1590 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1610:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1610 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1612:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1612 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1711:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1711 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1719:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1719 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1739:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1739 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1741:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1741 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1845:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1845 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1853:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1853 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1873:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1873 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1875:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1875 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2027:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2027 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2035:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2035 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2055:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2055 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2057:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2057 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2164:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2164 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2172:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2172 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2192:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2192 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2194:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2194 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tamd.F... tamd.F:66:51: 50 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,maxmetaprintcount)) | 2 ...... 66 | if (.not.btdb_get(rtdb,rtdb_name,mt_log,1,zfixed)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tamd.F:733:57: 707 | value= value.and.btdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 2 ...... 733 | > btdb_put(rtdb,rtdb_name,mt_dbl,nmeta,ztamd) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tamd.F:2356:72: 2356 | do i=1,ndim | ^ Warning: 'ndim' may be used uninitialized [-Wmaybe-uninitialized] tamd.F:2272:26: 2272 | integer i,s1,s2,ndim,nparam,nindx,ntype,count,sindx(10),sparam(10) | ^ note: 'ndim' declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/TAMD' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/TAMD' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a tamd_input.o tamd.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/TAMD' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/TAMD' Making all in FMM make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/FMM' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/FMM' Compiling fmm.F... fmm.F:378:46: 272 | call Parallel_Vector_SumAll(((lmax+1)**2)*(n*n*n),Mlm) | 2 ...... 378 | call Parallel_Vector_SumAll((lmax+1)**2,Llm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/FMM' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/FMM' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a fmm.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/FMM' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/FMM' Making all in md_xs make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/md_xs' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/md_xs' Making all in FEFF6L make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/md_xs/FEFF6L' Compiling md_xs_input.F... md_xs_input.F:125:50: 113 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,icenter) | 2 ...... 125 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,rmax) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_xs_input.F:183:50: 113 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,icenter) | 2 ...... 183 | > rtdb_put(rtdb,rtdb_name,mt_int,2,isteps) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling feff6Lib.F... Compiling md_xs.F... md_xs.F:1116:30: 994 | call ycopy(2*nr,0.0d0,0,chi_r,1) | 2 ...... 1116 | call ycopy(nkf0,0.0d0,0,dbl_mb(tchi(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). md_xs.F:127:36: 123 | > mt_dbl,1,temperature)) then | 2 ...... 127 | > mt_int,2,steps)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). md_xs.F:452:51: 450 | if (.not.btdb_get(rtdb,'md_xs:center',mt_int,1,center)) | 2 451 | > center = 1 452 | if (.not.btdb_get(rtdb,'md_xs:rmax',mt_dbl,1,rmax)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). feff6Lib.F:163:19: 163 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:9605:19: 9605 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:932:19: 932 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:12183:19: 12183 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:11719:19: 11719 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:1336:19: 1336 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, test, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:4014:19: 4014 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] md_xs.F:271:13: 271 | if (mc_algorithm.eq.0) then | ^ Warning: 'mc_algorithm' may be used uninitialized [-Wmaybe-uninitialized] md_xs.F:39:66: 39 | integer seed,mc_napply,mc_ngroups,mc_group_size,mc_algorithm | ^ note: 'mc_algorithm' was declared here feff6Lib.F:11527:72: 11527 | fz2 = fzn+20.0d0*(fz3-fzn)*(tlx-xbl+0.05d0) | ^ Warning: 'xbl' may be used uninitialized [-Wmaybe-uninitialized] feff6Lib.F:11512:15: 11512 | xbl = 0.05d0 * (xjbl-1.0d0) - 8.8d0 | ^ note: 'xbl' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/md_xs' feff6Lib.F:2111:72: 2111 | xk0 = delk * (i-1) + xkmin | ^ Warning: 'xkmin' may be used uninitialized [-Wmaybe-uninitialized] feff6Lib.F:2030:17: 2030 | xkmin = n * delk | ^ note: 'xkmin' was declared here make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/md_xs/FEFF6L' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a feff6Lib.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/md_xs/FEFF6L' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/md_xs/FEFF6L' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/md_xs' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a md_xs_input.o md_xs.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/md_xs' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/md_xs' Making all in nwpwxc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/nwpwxc' Compiling nwpwxc_block.F... Compiling nwpwxc_add.F... Compiling nwpwxc_query.F... Compiling nwpwxc_nwchem.F... nwpwxc_nwchem.F:256:33: 250 | status=status.and.rtdb_put(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 2 ...... 256 | > nwpwxc_cam_alpha) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). nwpwxc_nwchem.F:292:46: 250 | status=status.and.rtdb_put(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 2 ...... 292 | + nwpwxc_num_f,nwpwxc_ids) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_nwchem.F:295:48: 250 | status=status.and.rtdb_put(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 2 ...... 295 | + nwpwxc_usr_num,nwpwxc_usr_ids) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_nwchem.F:366:56: 320 | if (rtdb_get(rtdb,'int:cando_txs',mt_log,1,junk)) then | 2 ...... 366 | status=status.and.rtdb_get(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling nwpwxc_vdw3d.F... make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/nwpwxc' Compiling nwpwxc_eval.F... Compiling nwpwxc_x_att.F... Compiling nwpwxc_x_b88.F... Compiling nwpwxc_x_bnl.F... Compiling nwpwxc_x_camb88.F... Compiling nwpwxc_x_camlsd.F... Compiling nwpwxc_x_campbe.F... Compiling nwpwxc_x_cams12.F... Compiling nwpwxc_x_dirac.F... Compiling nwpwxc_x_gill.F... Compiling nwpwxc_x_hse08.F... Compiling nwpwxc_x_ft97.F... Compiling nwpwxc_x_m05.F... Compiling nwpwxc_x_m06.F... Compiling nwpwxc_x_m11.F... Compiling nwpwxc_x_opt.F... Compiling nwpwxc_x_pbe.F... Compiling nwpwxc_x_rpbe.F... Compiling nwpwxc_x_pkzb99.F... Compiling nwpwxc_x_s12.F... Compiling nwpwxc_x_sogga.F... Compiling nwpwxc_x_tpss03.F... Compiling nwpwxc_x_wpbe.F... Compiling nwpwxc_x_vs98.F... Compiling nwpwxc_c_b95.F... Compiling nwpwxc_c_ft97.F... Compiling nwpwxc_c_lyp.F... Compiling nwpwxc_c_m05.F... Compiling nwpwxc_c_m06.F... Compiling nwpwxc_c_m11.F... Compiling nwpwxc_c_opt.F... Compiling nwpwxc_c_p91.F... Compiling nwpwxc_c_p91_vwn5.F... Compiling nwpwxc_c_pw91lda.F... Compiling nwpwxc_c_sogga.F... Compiling nwpwxc_c_pbe.F... Compiling nwpwxc_c_Mpbe.F... Compiling nwpwxc_c_pkzb99.F... Compiling nwpwxc_c_tpss03.F... nwpwxc_c_tpss03.F:463:72: 463 | en = pbe*(1.d0 + ccc*xx2) | ^ Warning: 'ccc' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_c_tpss03.F:104:32: 104 | double precision zeta, ccc | ^ note: 'ccc' was declared here Compiling nwpwxc_c_vs98.F... Compiling nwpwxc_c_lsda.F... Compiling nwpwxc_c_vwn1.F... Compiling nwpwxc_c_vwn1_rpa.F... Compiling nwpwxc_c_vwn2.F... Compiling nwpwxc_c_vwn3.F... Compiling nwpwxc_c_vwn4.F... Compiling nwpwxc_c_vwn5.F... Compiling nwpwxc_c_op.F... Compiling nwpwxc_cs00.F... Compiling nwpwxc_vdw3b.F... Compiling nwpwxc_vdw3c.F... nwpwxc_vdw3b.F:1333:6: 1333 | FUNCTION nwpwxc_READAA(A,ISTART,IEND,IEND2) | ^ Warning: '__result_nwpwxc_readaa' is used uninitialized [-Wuninitialized] nwpwxc_vdw3c.F:3035:31: 3035 | subroutine nwpwxc_split(str,delims,before,sep) | 1 Warning: Interface mismatch in global procedure 'nwpwxc_split' at (1): INTENT mismatch in argument 'sep' nwpwxc_vdw3c.F:509:43: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 509 | if (np.gt.1) call GA_DGOP(9+MSGDBL,cc6ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:612:43: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 612 | if (np.gt.1) call GA_DGOP(9+MSGDBL,cc6ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:1311:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1311 | if (np.gt.1) call GA_DGOP(9+MSGDBL,sigma,9,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:1312:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1312 | if (np.gt.1) call GA_DGOP(9+MSGDBL,g,3*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:1736:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1736 | if (np.gt.1) call GA_DGOP(9+MSGDBL,c6save,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:1738:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1738 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6ij,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:2381:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2381 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6i,n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:2382:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2382 | if (np.gt.1) call GA_DGOP(9+MSGDBL,drij,drijsize,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-4) nwpwxc_vdw3c.F:2440:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2440 | if (np.gt.1) call GA_DGOP(9+MSGDBL,g,3*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:2483:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2483 | if (np.gt.1) call GA_DGOP(9+MSGDBL,sigma,9,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling nwpwxcP_xc_b97.c... nwpwxcP_xc_b97.c: In function 'nwpwxcp_c_b97_': nwpwxcP_xc_b97.c:551:21: warning: variable 'Gec_b0' set but not used [-Wunused-but-set-variable] 551 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ nwpwxcP_xc_b97.c:551:10: warning: variable 'Gec_a0' set but not used [-Wunused-but-set-variable] 551 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ Compiling nwpwxc_x_b97.F... nwpwxcP_xc_b97.c:743:88: warning: 'Gec_b0_rb' may be used uninitialized [-Wmaybe-uninitialized] 743 | FC[ _FXC_RBGBB ] = ScalGGAC*(0.0 + Gec_b0_rb*Ggc_bb_gbb + 0.0 + ec_b0*Ggc_bb_rbgbb + 0.0 + Gec_ab_rb*Ggc_ab_gbb + 0.0 + ec_ab*Ggc_ab_rbgbb); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ nwpwxcP_xc_b97.c:553:10: note: 'Gec_b0_rb' was declared here 553 | double Gec_b0_rb,Gec_b0_rbrb; | ^~~~~~~~~ nwpwxcP_xc_b97.c:641:13: warning: 'Gec_a0_ra' may be used uninitialized [-Wmaybe-uninitialized] 641 | Gec_ab_ra = Gec_ab_ra - Gec_a0_ra; | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~ nwpwxcP_xc_b97.c:552:10: note: 'Gec_a0_ra' was declared here 552 | double Gec_a0_ra,Gec_a0_rara; | ^~~~~~~~~ nwpwxc_vdw3b.F:1137:9: 1137 | if(nl.lt.2)then | ^ Warning: 'nl' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3b.F:1109:23: 1109 | integer i,j,nn,nl | ^ note: 'nl' was declared here Compiling nwpwxc_c_b97.F... Compiling nwpwxc_xc_kt1.F... Compiling nwpwxc_c_spbe.F... Compiling nwpwxc_x_ssbD_1.F... Compiling nwpwxc_c_perdew81.F... Compiling nwpwxc_c_perdew86.F... Compiling nwpwxc_x_pw91.F... Compiling nwpwxc_x_pw6.F... Compiling nwpwxc_x_b86b.F... Compiling nwpwxc_x_scan.F... ./build_dftd3a.sh Compiling nwpwxc_c_scan.F... nwpwxc_vdw3c.F:1082:53: 1082 | real*8, allocatable,dimension(:,:,:,:) :: drij !d(E)/d(r_ij) derivative wrt. dist. iat-jat | ^ Warning: 'drij.offset' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:53: Warning: 'drij.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:53: Warning: 'drij.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:53: Warning: 'drij.dim[3].stride' may be used uninitialized [-Wmaybe-uninitialized] using existing dftd3.tgz patching file nwpwxc_vdw3a.F Compiling nwpwxc_vdw3a.F... nwpwxc_vdw3a.F:1785:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1785 | if (np.gt.1) call GA_DGOP(9+MSGDBL,cc6ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:1786:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1786 | if (np.gt.1) call GA_DGOP(9+MSGDBL,r2ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:1787:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1787 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dmp,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2373:41: 1788 | if (np.gt.1) call GA_IGOP(9+MSGINT,icomp,n*n,'+') | 2 ...... 2373 | if (np.gt.1) call GA_IGOP(9+MSGINT,iabccalc,n*(n+1)/2,'+') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(2)). nwpwxc_vdw3a.F:2458:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2458 | if (np.gt.1) call GA_DGOP(9+MSGDBL,r2abc,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2459:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2459 | if (np.gt.1) call GA_DGOP(9+MSGDBL,r3abc,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2460:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2460 | if (np.gt.1) call GA_DGOP(9+MSGDBL,c6abc,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2461:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2461 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6ij,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3a.F:2564:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2564 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6i,n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2565:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2565 | if (np.gt.1) call GA_DGOP(9+MSGDBL,drij,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2605:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2605 | if (np.gt.1) call GA_DGOP(9+MSGDBL,g,3*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:2723:72: 2723 | edisp=-(e6+e8) | ^ Warning: 'e6' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:2581:24: 2581 | real*8 cn(n),i6,e6,e8,e10,edisp | ^ note: 'e6' was declared here nwpwxc_vdw3a.F:1966:72: 1966 | edisp=-(e6+e8) | ^ Warning: 'e6' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3a.F:1849:24: 1849 | real*8 cn(n),i6,e6,e8,e10,edisp | ^ note: 'e6' was declared here nwpwxc_vdw3a.F:395:19: 395 | if(minc6.and.j.lt.1)then | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3a.F:128:17: 128 | integer i,j,k,z,nn,iat,jat,i1,i2 | ^ note: 'j' was declared here nwpwxc_vdw3a.F:398:19: 398 | if(maxc6.and.k.lt.1)then | ^ Warning: 'k' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3a.F:128:19: 128 | integer i,j,k,z,nn,iat,jat,i1,i2 | ^ note: 'k' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/nwpwxc' nwpwxc_vdw3d.F:5:30: 5 | subroutine nwpwxc_copyc6(fname,maxc,max_elem,c6ab,maxci, | ^ note: variable tracking size limit exceeded with '-fvar-tracking-assignments', retrying without make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/nwpwxc' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a nwpwxc_block.o nwpwxc_add.o nwpwxc_query.o nwpwxc_nwchem.o nwpwxc_vdw3d.o nwpwxc_eval.o nwpwxc_x_att.o nwpwxc_x_b88.o nwpwxc_x_bnl.o nwpwxc_x_camb88.o nwpwxc_x_camlsd.o nwpwxc_x_campbe.o nwpwxc_x_cams12.o nwpwxc_x_dirac.o nwpwxc_x_gill.o nwpwxc_x_hse08.o nwpwxc_x_ft97.o nwpwxc_x_m05.o nwpwxc_x_m06.o nwpwxc_x_m11.o nwpwxc_x_opt.o nwpwxc_x_pbe.o nwpwxc_x_rpbe.o nwpwxc_x_pkzb99.o nwpwxc_x_s12.o nwpwxc_x_sogga.o nwpwxc_x_tpss03.o nwpwxc_x_wpbe.o nwpwxc_x_vs98.o nwpwxc_c_b95.o nwpwxc_c_ft97.o nwpwxc_c_lyp.o nwpwxc_c_m05.o nwpwxc_c_m06.o nwpwxc_c_m11.o nwpwxc_c_opt.o nwpwxc_c_p91.o nwpwxc_c_p91_vwn5.o nwpwxc_c_pw91lda.o nwpwxc_c_sogga.o nwpwxc_c_pbe.o nwpwxc_c_Mpbe.o nwpwxc_c_pkzb99.o nwpwxc_c_tpss03.o nwpwxc_c_vs98.o nwpwxc_c_lsda.o nwpwxc_c_vwn1.o nwpwxc_c_vwn1_rpa.o nwpwxc_c_vwn2.o nwpwxc_c_vwn3.o nwpwxc_c_vwn4.o nwpwxc_c_vwn5.o nwpwxc_c_op.o nwpwxc_cs00.o nwpwxc_vdw3b.o nwpwxc_vdw3c.o nwpwxcP_xc_b97.o nwpwxc_x_b97.o nwpwxc_c_b97.o nwpwxc_xc_kt1.o nwpwxc_c_spbe.o nwpwxc_x_ssbD_1.o nwpwxc_c_perdew81.o nwpwxc_c_perdew86.o nwpwxc_x_pw91.o nwpwxc_x_pw6.o nwpwxc_x_b86b.o nwpwxc_x_scan.o nwpwxc_c_scan.o nwpwxc_vdw3a.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/nwpwxc' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/nwpwxc' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib' Making all in libraryps make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/libraryps' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/libraryps' Compiling nwpw_library.F... nwpw_library.F:155:72: 155 | keyread=line(sqptr_l+1:sqptr_r-1) | ^ Warning: 'sqptr_r' may be used uninitialized [-Wmaybe-uninitialized] nwpw_library.F:116:38: 116 | integer l_lgth,i,sqptr_l,sqptr_r,k_lgth | ^ note: 'sqptr_r' was declared here Compiling nwpw_libfile.F... Compiling nwpw_set_library.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/libraryps' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/libraryps' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a nwpw_library.o nwpw_libfile.o nwpw_set_library.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpwlib.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/libraryps' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/libraryps' Making all in pspw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw' Compiling task_pspw.F... Making all in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib' Making all in psi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/psi' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/psi' Compiling dipole.F... Compiling dipole_efield.F... Compiling orthocheck.f... Compiling psi.F... Compiling psi_spin2.F... Compiling geodesic.F... Compiling geodesic2.F... Compiling Grassman.F... Grassman.F:805:21: 142 | call ycopy(2*n*nfft3d,A,1,C,1) | 2 ...... 805 | call ycopy(n*n,0.0d0,0,MM,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Grassman.F:805:29: 142 | call ycopy(2*n*nfft3d,A,1,C,1) | 2 ...... 805 | call ycopy(n*n,0.0d0,0,MM,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling psi_dmatrix.F... psi_dmatrix.F:338:20: 222 | call ycopy(n2ft3d*neall,psi_r,1,psi_r2,1) | 2 ...... 338 | call ycopy(nn,0.0d0,0,dbl_mb(v0(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psi_dmatrix.F:269:22: 222 | call ycopy(n2ft3d*neall,psi_r,1,psi_r2,1) | 2 ...... 269 | call ycopy(np_i,0.0d0,0,dbl_mb(maxsum0(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psi.F:5852:40: 5606 | > rho,dbl_mb(rho_ptr)) | 2 ...... 5852 | > dcpl_mb(psi2(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:5853:40: 5606 | > rho,dbl_mb(rho_ptr)) | 2 ...... 5853 | > dcpl_mb(psi1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:1151:43: 1151 | call Pack_c_Copy(1,dcpl_mb(psig_ptr),dbl_mb(psig_r(1))) | 1 ...... 12122 | call Pack_c_Copy(1,dcpl_mb(psii_ptr),orbi) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:1183:72: 1183 | > dbl_mb(hpsig_r(1)),dbl_mb(hpsie_r(1))) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:1202:72: 1202 | > dbl_mb(hpsie_r(1))) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:1234:72: 1234 | > dbl_mb(hpsig_r(1)),dbl_mb(hpsie_r(1))) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:1259:72: 1259 | > dbl_mb(hpsie_r(1))) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:1338:72: 1338 | > maxerror) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:3010:72: 3010 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,hpsig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:3033:72: 3033 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psie,psie_r,hpsie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:3138:33: 1152 | call Pack_c_unpack(1,dbl_mb(psig_r(1))) | 2 ...... 3138 | call Pack_c_unpack(0,vcc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:3139:33: 1153 | call D3dB_cr_fft3b(1,dbl_mb(psig_r(1))) | 2 ...... 3139 | call D3dB_cr_fft3b(1,vcc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:3253:28: 3140 | call D3dB_r_Copy(1,vcc,vcgg) | 2 ...... 3253 | call D3dB_r_Copy(1,vcee,vc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:3260:45: 3165 | call D3dB_rr_daxpy(1,-0.5d0,vcc,vcge) | 2 ...... 3260 | call D3dB_rr_daxpy(1,(-2.0d0*c1*c2),vctmp,vc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:3363:31: 3363 | call Pack_c_SMul(1,scal1,vc,dEdpsie) | 1 ...... 5048 | > dcpl_mb(psi_ptr+(i-1)*npack1), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:2216:72: 2216 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,hpsig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:2277:72: 2277 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,hpsig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:2323:28: 2323 | call D3dB_c_Copy(1,vcc,vcee) | 1 ...... 3028 | call D3dB_c_Copy(1,psihomo_r,psig_r) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:3456:72: 3456 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,h1psig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:3457:72: 3457 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psie,psie_r,h1psie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:2563:72: 2563 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,h1psig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:2564:72: 2564 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psie,psie_r,h1psie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:1940:72: 1940 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,dEdpsie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:1941:72: 1941 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psie,psie_r,h1psie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:3717:42: 3717 | > dbl_mb(v_field(1))) | 1 ...... 4333 | > 2*npack1,dcpl_mb(etmp(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:6628:42: 4492 | > dcpl_mb(psi1(1) +(i-1)*npack1), | 2 ...... 6628 | call Pack_cc_dot(0,dcpl_mb(dng1(1)),dbl_mb(vltmp(1)),elocal) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:10351:21: 4251 | call daxpy_omp(2*npack1,1.0d0,dcpl_mb(etmp(1)),1,Horb,1) | 2 ...... 10351 | > dbl_mb(rho0(1)),1,dbl_mb(rho2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:10351:39: 4251 | call daxpy_omp(2*npack1,1.0d0,dcpl_mb(etmp(1)),1,Horb,1) | 2 ...... 10351 | > dbl_mb(rho0(1)),1,dbl_mb(rho2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:11404:50: 10499 | > mt_log,1,psi_nogrid)) | 2 ...... 11404 | if (.not.btdb_get(rtdb,'dos:alpha',mt_dbl,1,alpha)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). psi.F:11982:38: 3133 | call D3dB_r_SMul1(1,scal1,rhogg) | 2 ...... 11982 | call D3dB_r_SMul1(1,scal2,dcpl_mb(dnij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11983:28: 3089 | call coulomb2_v(rhogg,vcgg) | 2 ...... 11983 | call coulomb2_v(dcpl_mb(dnij(1)),dcpl_mb(vij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11983:45: 3089 | call coulomb2_v(rhogg,vcgg) | 2 ...... 11983 | call coulomb2_v(dcpl_mb(dnij(1)),dcpl_mb(vij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11990:33: 3134 | call D3dB_rc_fft3f(1,rhogg) | 2 ...... 11990 | call D3dB_rc_fft3f(1,dcpl_mb(dnij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11991:31: 3135 | call Pack_c_pack(0,rhogg) | 2 ...... 11991 | call Pack_c_pack(0,dcpl_mb(dnij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11993:27: 3137 | call coulomb_v(rhogg,vcc) | 2 ...... 11993 | call coulomb_v(dcpl_mb(dnij(1)),dcpl_mb(vhij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11997:36: 3162 | call coulomb_screened_v(rhoge,vcc) | 2 ...... 11997 | call coulomb_screened_v(dcpl_mb(dnij(1)),dcpl_mb(vij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:12018:34: 3094 | call D3dB_rr_dot(1,rhogg,vcgg,ehartr) | 2 ...... 12018 | call D3dB_rr_dot(1,dcpl_mb(dnij(1)),dcpl_mb(vij(1)),e2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:12018:51: 3094 | call D3dB_rr_dot(1,rhogg,vcgg,ehartr) | 2 ...... 12018 | call D3dB_rr_dot(1,dcpl_mb(dnij(1)),dcpl_mb(vij(1)),e2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling psi_read.F... psi_read.F:93:25: 92 | call iread(5,version,1) | 2 93 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:96:25: 92 | call iread(5,version,1) | 2 ...... 96 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:117:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 117 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:123:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 123 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:290:22: 92 | call iread(5,version,1) | 2 ...... 290 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:293:22: 92 | call iread(5,version,1) | 2 ...... 293 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:301:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 301 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:307:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 307 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:472:22: 92 | call iread(5,version,1) | 2 ...... 472 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:475:22: 92 | call iread(5,version,1) | 2 ...... 475 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:483:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 483 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:489:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 489 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:655:22: 92 | call iread(5,version,1) | 2 ...... 655 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:658:22: 92 | call iread(5,version,1) | 2 ...... 658 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:667:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 667 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:673:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 673 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi.F:10902:72: 10902 | return | ^ Warning: '__result_psi_2epsi_gradients' is used uninitialized [-Wuninitialized] psi.F:10847:42: 10847 | logical function psi_2epsi_gradients(gn) | ^ note: '__result_psi_2epsi_gradients' was declared here Compiling psi_write.F... psi_write.F:105:26: 104 | call iwrite(6,version,1) | 2 105 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:108:26: 104 | call iwrite(6,version,1) | 2 ...... 108 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:264:26: 104 | call iwrite(6,version,1) | 2 ...... 264 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:267:26: 104 | call iwrite(6,version,1) | 2 ...... 267 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:425:26: 104 | call iwrite(6,version,1) | 2 ...... 425 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:428:26: 104 | call iwrite(6,version,1) | 2 ...... 428 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:583:26: 104 | call iwrite(6,version,1) | 2 ...... 583 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:586:26: 104 | call iwrite(6,version,1) | 2 ...... 586 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rho_write.F... rho_write.F:90:26: 89 | call iwrite(6,version,1) | 2 90 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rho_read.F... rho_read.F:82:25: 81 | call iread(5,version,1) | 2 82 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rho_read.F:104:56: 95 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 104 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling v_psi_read.F... v_psi_read.F:89:22: 88 | call iread(5,version,1) | 2 89 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_read.F:92:22: 88 | call iread(5,version,1) | 2 ...... 92 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_read.F:100:56: 98 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 99 | msglen = 3 100 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_read.F:107:56: 98 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 107 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling v_psi_write.F... v_psi_write.F:101:26: 100 | call iwrite(6,version,1) | 2 101 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_write.F:104:26: 100 | call iwrite(6,version,1) | 2 ...... 104 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psi_new.F... psi.F:2954:27: 2954 | real*8 ehfx,phfx,Eion | ^ Warning: 'eion' may be used uninitialized [-Wmaybe-uninitialized] psi_new.F:138:42: 134 | > 'nwpw:lcao_iterations',mt_int,1,lcao_iterations)) | 2 ...... 138 | > 'nwpw:lcao_print',mt_log,1,lcao_print)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling v_psi_new.F... psi.F:2514:27: 2514 | real*8 ehfx,phfx,Eion | ^ Warning: 'eion' may be used uninitialized [-Wmaybe-uninitialized] Compiling psi_history.F... Compiling psi_write_filename.F... psi_write_filename.F:92:26: 91 | call iwrite(6,version,1) | 2 92 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write_filename.F:95:26: 91 | call iwrite(6,version,1) | 2 ...... 95 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write_filename.F:243:26: 91 | call iwrite(6,version,1) | 2 ...... 243 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write_filename.F:246:26: 91 | call iwrite(6,version,1) | 2 ...... 246 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psi_read_filename.F... psi_read_filename.F:76:22: 75 | call iread(5,version,1) | 2 76 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:79:22: 75 | call iread(5,version,1) | 2 ...... 79 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:87:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 86 | msglen = 3 87 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:93:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 93 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:235:25: 75 | call iread(5,version,1) | 2 ...... 235 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:238:25: 75 | call iread(5,version,1) | 2 ...... 238 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:259:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 259 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:265:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 265 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling polarizability.F... Compiling berry_phase_pol.F... Compiling rho_symmetrizer.F... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/psi' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/psi' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a dipole.o dipole_efield.o orthocheck.o psi.o psi_spin2.o geodesic.o geodesic2.o Grassman.o psi_dmatrix.o psi_read.o psi_write.o rho_write.o rho_read.o v_psi_read.o v_psi_write.o psi_new.o v_psi_new.o psi_history.o psi_write_filename.o psi_read_filename.o polarizability.o berry_phase_pol.o rho_symmetrizer.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/psi' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/psi' Making all in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/electron' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/electron' Compiling psi_H.F... psi_H.F:113:42: 107 | > dbl_mb(Hpsi_r(1))) | 2 ...... 113 | > 2*nfft3d,dcpl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling psi_Hv4.F... psi_H.F:583:72: 583 | call D3dB_r_Zero(1,dbl_mb(Horb_r(1))) | ^ Warning: 'horb_r' may be used uninitialized [-Wmaybe-uninitialized] psi_H.F:555:31: 555 | integer vpsi(2),Horb_r(2) | ^ note: 'horb_r' declared here psi_H.F:755:72: 755 | call D3dB_r_Zero(1,dbl_mb(Horb_r(1))) | ^ Warning: 'horb_r' may be used uninitialized [-Wmaybe-uninitialized] psi_H.F:726:31: 726 | integer vpsi(2),Horb_r(2) | ^ note: 'horb_r' declared here psi_Hv4.F:112:39: 104 | > dbl_mb(Hpsi_r(1))) | 2 ...... 112 | > dcpl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi_Hv4.F:611:34: 608 | call ycopy(n2ft3d,0.0d0,0,dbl_mb(Horb_r(1)),1) | 2 ...... 611 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(vpsi(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling electron.F... electron.F:2375:25: 2143 | call Pack_c_Copy(1,psi_k(1+(n-1)*npack1), | 2 ...... 2375 | call Pack_c_Copy(0,dbl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2375:41: 2144 | > dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 2375 | call Pack_c_Copy(0,dbl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). electron.F:477:22: 477 | > dbl_mb(xce(1)), | 1 ...... 977 | > dcpl_mb(vc(1)), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2475:29: 2450 | > call D3dB_rr_Sum2(1,dbl_mb(v_field(1)),dbl_mb(vall(1))) | 2 ...... 2475 | call D3dB_rr_Sum2(1,dcpl_mb(vc(1)),dbl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). electron.F:2636:28: 1369 | > dcpl_mb(Hpsi_k(1)), | 2 ...... 2636 | > 4*nfft3d,dbl_mb(vall(1)),vall_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2636:44: 1370 | > Hpsi_k_new) | 2 ...... 2636 | > 4*nfft3d,dbl_mb(vall(1)),vall_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2775:51: 2200 | call Parallel_shared_vector_zero(.true.,2*n2ft3d,dn) | 2 ...... 2775 | > 2*npack0,dcpl_mb(vc(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/electron' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/electron' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a psi_H.o psi_Hv4.o electron.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/electron' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/electron' Making all in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/ke' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/ke' Compiling ke.F... ke.F:476:72: 476 | if (.not. value) call errquit('out of stack memory',0) | 1 Warning: Missing actual argument for argument '_formal_10' at (1) ke.F:557:72: 557 | if (.not. value) call errquit('error popping stack memory',0) | 1 Warning: Missing actual argument for argument '_formal_10' at (1) make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/ke' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/ke' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a ke.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/ke' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/ke' Making all in coulomb make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/coulomb' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/coulomb' Compiling coulomb.F... Compiling coulomb2.F... coulomb2.F:399:27: 285 | call D3dB_rc_fft3f(2,dbl_mb(glr(1))) | 2 ...... 399 | call D3dB_rc_fft3f(2,dcpl_mb(tmpx(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling coulomb_screened.F... coulomb_screened.F:83:32: 82 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 83 | call ycopy(nfft3d,0.0d0,0,dbl_mb(gk2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). coulomb_screened.F:801:72: 801 | call sub_coulomb_screened_init_print(dcpl_mb(tmp1(1)),rcut,pp) | 1 Warning: Type mismatch in argument 'vc' at (1); passed COMPLEX(8) to REAL(8) coulomb_screened.F:1051:24: 82 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 ...... 1051 | call ycopy(n2ft3d,dcpl_mb(gk(1)), 1,dbl_mb(gr(1)), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). coulomb_screened.F:1080:32: 149 | call D3dB_r_SMul1(1,scal1,dcpl_mb(gk(1))) | 2 ...... 1080 | call D3dB_r_SMul1(1,scal1,dbl_mb(gr(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling coulomb_screened_small.F... coulomb_screened_small.F:83:32: 82 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 83 | call ycopy(nfft3d,0.0d0,0,dbl_mb(gk2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). coulomb_screened_small.F:521:25: 471 | call Pack_ct_Sqr(2,dng,dbl_mb(tmp1(1))) | 2 ...... 521 | call Pack_ct_Sqr(2,dng,real_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(4)/COMPLEX(8)). coulomb_screened_small.F:521:29: 471 | call Pack_ct_Sqr(2,dng,dbl_mb(tmp1(1))) | 2 ...... 521 | call Pack_ct_Sqr(2,dng,real_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/REAL(8)). coulomb_screened_small.F:522:25: 472 | call Pack_tt_dot(2,dbl_mb(tmp1(1)),dbl_mb(vc_indx),ec) | 2 ...... 522 | call Pack_tt_dot(2,real_mb(tmp1(1)),real_mb(svc_indx),ec) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/REAL(8)). coulomb_screened_small.F:522:42: 472 | call Pack_tt_dot(2,dbl_mb(tmp1(1)),dbl_mb(vc_indx),ec) | 2 ...... 522 | call Pack_tt_dot(2,real_mb(tmp1(1)),real_mb(svc_indx),ec) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/REAL(8)). coulomb_screened_small.F:522:60: 472 | call Pack_tt_dot(2,dbl_mb(tmp1(1)),dbl_mb(vc_indx),ec) | 2 ...... 522 | call Pack_tt_dot(2,real_mb(tmp1(1)),real_mb(svc_indx),ec) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/REAL(8)). Compiling coulomb_filter.F... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/coulomb' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/coulomb' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a coulomb.o coulomb2.o coulomb_screened.o coulomb_screened_small.o coulomb_filter.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/coulomb' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/coulomb' Making all in exchange-correlation make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/exchange-correlation' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/exchange-correlation' Making all in vdw-DF make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' Compiling v_bwexc_all.F... make[8]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' Compiling v_exc.F... Compiling v_dirac.F... Compiling v_mexc.F... Compiling v_bwexc.F... v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:85:72: 85 | tmp(1) = fdn(1) | ^ Warning: 'fdn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:33: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fdn' declared here v_bwexc.F:324:72: 324 | rhoup(1) = grad(1) | ^ Warning: 'grad' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:41:30: 41 | integer grad(2) | ^ note: 'grad' declared here v_bwexc.F:328:72: 328 | fn(1) = xfn(1) | ^ Warning: 'xfn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:42:28: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfn' declared here Compiling v_bwexc_euv.F... Compiling nwpw_meta_gga.F... v_bwexc_euv.F:94:72: 94 | tmp(1) = fdn(1) | ^ Warning: 'fdn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc_euv.F:36:33: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2),xce(2) | ^ note: 'fdn' declared here v_bwexc_euv.F:394:72: 394 | fn(1) = xfn(1) | ^ Warning: 'xfn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc_euv.F:42:28: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfn' declared here nwpw_meta_gga.F:163:39: 45 | > dbl_mb(dfdtau(1))) | 2 ...... 163 | > dcpl_mb(dpsi(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_meta_gga.F:290:36: 190 | call D3dB_r_Zero_Ends(1,dbl_mb(tau(1)+(ms-1)*n2ft3d)) | 2 ...... 290 | call D3dB_r_Zero_Ends(1,dcpl_mb(dpsi(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pbe96.f... Compiling pbesol.f... Compiling revpbe.f... Compiling blyp.f... Compiling vdw-DF.F... vdw-DF.F:609:43: 609 | call D1dB_Vector_SumAll(2*Nqs*nfft3d,ufunc) | 1 ...... 683 | call D1dB_Vector_SumAll(n2ft3d,tmpexc) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). vdw-DF.F:358:72: 358 | > dbl_mb(theta(1)),dbl_mb(ufunc(1))) | 1 Warning: Type mismatch in argument 'theta' at (1); passed REAL(8) to COMPLEX(8) vdw-DF.F:358:72: 358 | > dbl_mb(theta(1)),dbl_mb(ufunc(1))) | 1 Warning: Type mismatch in argument 'ufunc' at (1); passed REAL(8) to COMPLEX(8) Compiling b3lyp.F... Compiling vdw_DF_kernel.F... Compiling bnl2007_x.F... Compiling vdw_DF_get_qmesh_filename.F... Compiling hsepbe.F... Compiling beef_gga.f... make[8]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' Compiling pw92c.f... make[8]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' Compiling vs98.f... Compiling tpss03.f... Compiling scan.f... Compiling r2scan.f... Compiling pw91c.f... Compiling pbe96x.f... Compiling pbe96c.f... Compiling m06.f... Compiling m06-l.f... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/exchange-correlation' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a vdw-DF.o vdw_DF_kernel.o vdw_DF_get_qmesh_filename.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a make[8]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/exchange-correlation' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a v_bwexc_all.o v_exc.o v_dirac.o v_mexc.o v_bwexc.o v_bwexc_euv.o nwpw_meta_gga.o pbe96.o pbesol.o revpbe.o blyp.o b3lyp.o bnl2007_x.o hsepbe.o beef_gga.o pw92c.o vs98.o tpss03.o scan.o r2scan.o pw91c.o pbe96x.o pbe96c.o m06.o m06-l.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/exchange-correlation' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/exchange-correlation' Making all in sic make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/sic' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/sic' Compiling pspw_sic.F... pspw_sic.F:92:37: 34 | if (.not.btdb_get(rtdb,'pspw:SIC_all',mt_log,1,sicall)) | 2 ...... 92 | > mt_dbl,1,rcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/sic' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/sic' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a pspw_sic.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/sic' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/sic' Making all in hfx make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/hfx' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/hfx' Compiling pspw_hfx.F... Compiling pspw_shfx.F... pspw_hfx.F:99:37: 46 | if (.not.btdb_get(rtdb,'pspw:HFX',mt_log,1,hfx_on)) | 2 ...... 99 | > mt_dbl,1,rcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). pspw_shfx.F:946:72: 946 | > real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:948:72: 948 | > real_mb(vij(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:950:72: 950 | > real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:952:72: 952 | > real_mb(tmp2(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:993:35: 993 | call D3dBs_r_SMul1(1,hfx_parameter,real_mb(vij(1))) | 1 ...... 1530 | call D3dBs_r_SMul1(1,scal2,real_mb(dn(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/REAL(4)). pspw_shfx.F:795:72: 795 | > 2*n2ft3d,real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:797:72: 797 | > n2ft3d,real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:403:72: 403 | > n2ft3d,real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:405:72: 405 | > n2ft3d,real_mb(vij(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:407:72: 407 | > n2ft3d,real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:409:72: 409 | > n2ft3d,real_mb(tmp2(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1106:72: 1106 | > n2ft3d,real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1108:72: 1108 | > n2ft3d,real_mb(vij(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1110:72: 1110 | > n2ft3d,real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:39:72: 39 | > real_mb(Hpsi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:121:72: 121 | > real_mb(psi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:182:72: 182 | > real_mb(psi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:258:72: 258 | > real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:260:72: 260 | > real_mb(vij(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:262:72: 262 | > real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1367:72: 1367 | > real_mb(Hpsi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_114' at (1) pspw_shfx.F:1373:23: 103 | > Hpsi_r(1+(ms-1)*neq(1)*n2ft3d),1) | 2 ...... 1373 | > Horb_r,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/REAL(4)). pspw_shfx.F:1376:72: 1376 | call pspw_potential_sHFX_orb_sub(ms,psi_r,orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to REAL(4) pspw_shfx.F:1376:72: 1376 | call pspw_potential_sHFX_orb_sub(ms,psi_r,orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'orb_r' at (1); passed REAL(8) to REAL(4) pspw_shfx.F:1376:72: 1376 | call pspw_potential_sHFX_orb_sub(ms,psi_r,orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'horb_r' at (1); passed REAL(8) to REAL(4) pspw_shfx.F:1418:72: 1418 | > real_mb(psi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1420:72: 1420 | > real_mb(Hpsi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) Compiling pspw_hfx_localized.F... pspw_hfx_localized.F:306:23: 296 | > psi_r,1, | 2 ...... 306 | > psi1,1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_hfx_localized.F:481:36: 296 | > psi_r,1, | 2 ...... 481 | call ycopy(3*(ne(1)+ne(2)),0.0d0,0,dbl_mb(rwav(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_hfx_localized.F:727:53: 293 | call Dneall_mm_transpose(0,dbl_mb(rotmat21(1)),dcpl_mb(A(1))) | 2 ...... 727 | call Dneall_mm_transpose(0,dbl_mb(tmat1(1)),dbl_mb(tmat2(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_hfx_localized.F:732:36: 300 | > dcpl_mb(A(1)),1.0d0, | 2 ...... 732 | > dbl_mb(tmat2(1)), 1.0d0, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_hfx_localized.F:131:72: 131 | xx=xx+bmat(j,1)*ixmat(j,i) | ^ Warning: 'ixmat' is used uninitialized [-Wuninitialized] pspw_hfx_localized.F:75:28: 75 | real*8 b(3),ixmat(3,6) | ^ note: 'ixmat' declared here make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/hfx' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/hfx' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a pspw_hfx.o pspw_shfx.o pspw_hfx_localized.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/hfx' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/hfx' Making all in ion make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/ion' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/ion' Compiling ion_ion.F... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/ion' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/ion' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a ion_ion.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/ion' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/ion' Making all in psp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/psp' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/psp' Compiling MOTION.F... Compiling psp.F... Compiling psp_olddebug.F... Compiling psp_cmp_dE_Qlm.F... psp_olddebug.F:227:72: 227 | > dbl_mb(sum(1)+3*(n-1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp_olddebug.F:35:18: 35 | integer G(3),npack1,nion,nu | ^ note: 'g[0]' was declared here psp_olddebug.F:229:72: 229 | > dbl_mb(sum(1)+1+3*(n-1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp_olddebug.F:35:18: 35 | integer G(3),npack1,nion,nu | ^ note: 'g[1]' was declared here psp_olddebug.F:231:72: 231 | > dbl_mb(sum(1)+2+3*(n-1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp_olddebug.F:35:18: 35 | integer G(3),npack1,nion,nu | ^ note: 'g[2]' was declared here psp.F:4339:22: 4337 | call iread(5,psp_type,1) | 2 4338 | call iread(5,version,1) 4339 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4342:22: 4340 | call dread(5,unita,9) | 2 4341 | call cread(5,atom,2) 4342 | call dread(5,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4343:22: 4340 | call dread(5,unita,9) | 2 ...... 4343 | call dread(5,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4353:22: 4337 | call iread(5,psp_type,1) | 2 ...... 4353 | call iread(5,n_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4354:22: 4337 | call iread(5,psp_type,1) | 2 ...... 4354 | call iread(5,l_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4355:22: 4337 | call iread(5,psp_type,1) | 2 ...... 4355 | call iread(5,m_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4356:22: 4337 | call iread(5,psp_type,1) | 2 ...... 4356 | call iread(5,b_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4365:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4365 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4372:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4372 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,iatom) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4377:55: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4377 | call Parallela_Brdcst_values(com_p,MASTER,msglen,amass) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4379:55: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4379 | call Parallela_Brdcst_values(com_p,MASTER,msglen,zv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4398:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4398 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4399:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4399 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,l_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4400:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4400 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,m_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4401:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4401 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,b_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4423:40: 4340 | call dread(5,unita,9) | 2 ...... 4423 | if (version.eq.4) call dread(5,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4424:22: 4340 | call dread(5,unita,9) | 2 ...... 4424 | call dread(5,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4427:55: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4427 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rlocal) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4429:55: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4429 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rcore) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4473:45: 4340 | call dread(5,unita,9) | 2 ...... 4473 | if (taskid_p.eq.MASTER) call dread(5,core_kin_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4474:45: 4340 | call dread(5,unita,9) | 2 ...... 4474 | if (taskid_p.eq.MASTER) call dread(5,core_ion_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4477:37: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4477 | > core_kin_energy) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4479:37: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4479 | > core_ion_energy) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4484:24: 4340 | call dread(5,unita,9) | 2 ...... 4484 | call dread(5,log_amesh,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4485:24: 4340 | call dread(5,unita,9) | 2 ...... 4485 | call dread(5,r1,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4486:24: 4340 | call dread(5,unita,9) | 2 ...... 4486 | call dread(5,rmax,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4487:24: 4340 | call dread(5,unita,9) | 2 ...... 4487 | call dread(5,sigma,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4488:24: 4340 | call dread(5,unita,9) | 2 ...... 4488 | call dread(5,zion,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4493:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4493 | call Parallela_Brdcst_values(com_p,MASTER,msglen,log_amesh) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4494:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4494 | call Parallela_Brdcst_values(com_p,MASTER,msglen,r1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4495:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4495 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rmax) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4496:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4496 | call Parallela_Brdcst_values(com_p,MASTER,msglen,sigma) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4497:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4497 | call Parallela_Brdcst_values(com_p,MASTER,msglen,zion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4515:45: 4337 | call iread(5,psp_type,1) | 2 ...... 4515 | if (taskid_p.eq.MASTER) call iread(5,nae,n1dbasis) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4516:60: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4516 | call Parallela_Brdcst_ivalues(com_p,MASTER,n1dbasis,nae) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4518:45: 4337 | call iread(5,psp_type,1) | 2 ...... 4518 | if (taskid_p.eq.MASTER) call iread(5,nps,n1dbasis) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4519:60: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4519 | call Parallela_Brdcst_ivalues(com_p,MASTER,n1dbasis,nps) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4521:45: 4337 | call iread(5,psp_type,1) | 2 ...... 4521 | if (taskid_p.eq.MASTER) call iread(5,lps,n1dbasis) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4522:60: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4522 | call Parallela_Brdcst_ivalues(com_p,MASTER,n1dbasis,lps) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:1968:55: 1968 | call Parallel_shared_vector_zero(.true.,2*npack0,vl_out) | 1 ...... 3635 | call Parallel_shared_vector_zero(.true.,nn*nprj,sw2) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psp.F:2047:42: 1887 | if (np_j.gt.1) call D1dB_Vector_SumAll(n2ft3d_map,vlr_out) | 2 ...... 2047 | call D1dB_Vector_SumAll(2*npack0,vl_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psp.F:2941:36: 218 | call ycopy(npsp*npack0, 0.0d0,0,dbl_mb(vl(1)), 1) | 2 ...... 2941 | call ycopy((2*npack0),0.0d0,0,dcpl_mb(vtmp(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psp.F:4812:72: 4812 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) Compiling paw.F... Compiling psp_stress.F... psp_stress.F:558:22: 557 | call iread(5,version,1) | 2 558 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp_stress.F:567:56: 565 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 566 | msglen = 3 567 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp_stress.F:705:72: 705 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) paw.F:379:72: 379 | > dbl_mb(psp_fmm_Mlm(1)),1) | 1 Warning: More actual than formal arguments in procedure call at (1) paw.F:591:56: 374 | call Parallel_shared_vector_zero(.true.,3*nion,dbl_mb(ftmp(1))) | 2 ...... 591 | call Parallel_shared_vector_zero(.false.,2*npack0,vl_paw) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw.F:287:56: 287 | if (np_j.gt.1) call D1dB_Vector_SumAll(n2ft3d_map,vlr_paw) | 1 ...... 642 | call D1dB_Vector_SumAll(2*npack0,vl_paw) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:1156:36: 856 | call ycopy(3*nion,0.0d0,0,dbl_mb(ftmp(1)),1) | 2 ...... 1156 | call ycopy((4*npack0),0.0d0,0,vlpaw_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw.F:2928:50: 2863 | call nwpw_compcharge_gen_dn_cmp(ispin,dcpl_mb(dng_cmp(1))) | 2 ...... 2928 | call nwpw_compcharge_gen_dn_cmp(ispin,dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2931:25: 2865 | call v_local(dcpl_mb(vl1(1)), | 2 ...... 2931 | call v_local(dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2934:31: 2868 | call Pack_cc_dot(0,dcpl_mb(dng_cmp(1)), | 2 ...... 2934 | call Pack_cc_dot(0,dbl_mb(rho_cmp(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2935:31: 2869 | > dcpl_mb(vl1(1)),eh) | 2 ...... 2935 | > dbl_mb(vl1(1)),eh) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2961:35: 753 | call Pack_c_SMul1(0,lmbda,dcpl_mb(vtmp(1))) | 2 ...... 2961 | call Pack_c_SMul1(0,dv,dbl_mb(vl_notpaw(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2970:72: 2970 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:2970:72: 2970 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:2972:30: 2881 | call Pack_cc_Sum2(0,dcpl_mb(dng_cmp(1)), | 2 ...... 2972 | > dbl_mb(rho_cmp(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2973:30: 2882 | > dcpl_mb(vl_notpaw(1))) | 2 ...... 2973 | > dbl_mb(vl_notpaw(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2979:45: 2884 | > dcpl_mb(dng_cmp(1)), | 2 ...... 2979 | > dbl_mb(rho_cmp(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2980:45: 2885 | > dcpl_mb(dng_cmp_smooth(1))) | 2 ...... 2980 | > dbl_mb(rho_cmp_smooth(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3149:53: 3068 | > dcpl_mb(vl1(1)), | 2 ...... 3149 | > dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3174:72: 3174 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3174:72: 3174 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3184:50: 3085 | > dcpl_mb(vl_notpaw(1)), | 2 ...... 3184 | > dbl_mb(vl_notpaw(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3185:50: 3086 | > dcpl_mb(vl1(1)), | 2 ...... 3185 | > dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3193:72: 3193 | > fion) | 1 Warning: Type mismatch in argument 'dng_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3193:72: 3193 | > fion) | 1 Warning: Type mismatch in argument 'dng_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4476:72: 4476 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4476:72: 4476 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4486:50: 4389 | > dcpl_mb(vl_notpaw(1)), | 2 ...... 4486 | > dbl_mb(vl_notpaw(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:4487:50: 4390 | > dcpl_mb(vl1(1)), | 2 ...... 4487 | > dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:4495:72: 4495 | > fion) | 1 Warning: Type mismatch in argument 'dng_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4495:72: 4495 | > fion) | 1 Warning: Type mismatch in argument 'dng_notpaw' at (1); passed REAL(8) to COMPLEX(8) Compiling semicore.F... semicore.F:549:32: 525 | call ycopy(nfft3d,dbl_mb(G_indx(u)),1,dcpl_mb(Gu),1) | 2 ...... 549 | call ycopy(n2ft3d,0.0d0,0,Aus,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). semicore.F:573:32: 573 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 ...... 773 | call Pack_c_unpack(0,dbl_mb(tmp1(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:575:32: 575 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 ...... 759 | call D3dB_cr_fft3b(1,dbl_mb(tmp1(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:255:31: 255 | call D3dB_rr_Sqr1(1,dcpl_mb(tmp(1))) | 1 ...... 781 | call D3dB_rr_Sqr1(1,dbl_mb(tmp1(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:348:30: 348 | call D3dB_r_dsum(1,dcpl_mb(tmp(1)),sum) | 1 ...... 762 | call D3dB_r_dsum(1,dbl_mb(tmp1(1)),ss) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:841:24: 593 | call D3dB_r_SMul1(1,scal2*scal2,Aus) | 2 ...... 841 | call D3dB_r_SMul1(scal2,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). semicore.F:841:30: 593 | call D3dB_r_SMul1(1,scal2*scal2,Aus) | 2 ...... 841 | call D3dB_r_SMul1(scal2,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:854:25: 772 | call Pack_c_pack(0,dbl_mb(tmp1(1))) | 2 ...... 854 | call Pack_c_pack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling semicore_force.F... Compiling psp_U.F... Compiling psp_ld.F... psp_U.F:825:72: 825 | density_total = density(1)+density(ispin) | ^ Warning: 'density' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:817:38: 817 | real*8 density_total,density(2),edftu1,pdftu1 | ^ note: 'density' declared here psp_U.F:825:72: 825 | density_total = density(1)+density(ispin) | ^ Warning: 'density' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:817:38: 817 | real*8 density_total,density(2),edftu1,pdftu1 | ^ note: 'density' declared here paw.F:1195:72: 1195 | call Pack_tt_idot(0,dbl_mb(G(1)),dbl_mb(xtmp(1)),fion(1,ii)) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] paw.F:1120:41: 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[0]' was declared here paw.F:1196:72: 1196 | call Pack_tt_idot(0,dbl_mb(G(2)),dbl_mb(xtmp(1)),fion(2,ii)) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] paw.F:1120:41: 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[1]' was declared here paw.F:1197:72: 1197 | call Pack_tt_idot(0,dbl_mb(G(3)),dbl_mb(xtmp(1)),fion(3,ii)) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] paw.F:1120:41: 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[2]' was declared here psp.F:2033:72: 2033 | > dbl_mb(xtmp(1)),fion(1,ii)) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:1921:41: 1921 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[0]' was declared here psp.F:2035:72: 2035 | > dbl_mb(xtmp(1)),fion(2,ii)) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:1921:41: 1921 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[1]' was declared here psp.F:2037:72: 2037 | > dbl_mb(xtmp(1)),fion(3,ii)) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:1921:41: 1921 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[2]' was declared here psp_U.F:394:72: 394 | > dbl_mb(asum(1)+3*(n-1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:200:18: 200 | integer G(3),npack1,nion,nu | ^ note: 'g[0]' was declared here psp_U.F:396:72: 396 | > dbl_mb(asum(1)+1+3*(n-1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:200:18: 200 | integer G(3),npack1,nion,nu | ^ note: 'g[1]' was declared here psp_U.F:398:72: 398 | > dbl_mb(asum(1)+2+3*(n-1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:200:18: 200 | integer G(3),npack1,nion,nu | ^ note: 'g[2]' was declared here psp.F:3537:72: 3537 | > dbl_mb(sum(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:3223:18: 3223 | integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm | ^ note: 'g[0]' was declared here psp.F:3537:72: 3537 | > dbl_mb(sum(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:3223:18: 3223 | integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm | ^ note: 'g[1]' was declared here psp.F:3537:72: 3537 | > dbl_mb(sum(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:3223:18: 3223 | integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm | ^ note: 'g[2]' was declared here paw.F:3420:23: 3420 | real*8 wij,taunt | ^ Warning: 'taunt' may be used uninitialized [-Wmaybe-uninitialized] make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/psp' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/psp' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a MOTION.o psp.o psp_olddebug.o psp_cmp_dE_Qlm.o paw.o psp_stress.o semicore.o semicore_force.o psp_U.o psp_ld.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/psp' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/psp' Making all in Grsm_list make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/Grsm_list' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/Grsm_list' Compiling pspw_Grsm_list.F... Compiling pspw_lmbfgs.F... pspw_lmbfgs.F:91:36: 66 | call DSCAL_OMP(ngras,(-1.0d0),g,1) | 2 ...... 91 | call DSCAL_OMP(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs.F:93:40: 30 | call pspw_Grsm_list_store(2*m-1,g) | 2 ...... 93 | call pspw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs.F:111:25: 99 | > dbl_mb(ss(1)), | 2 ...... 111 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_lmbfgs.F:116:39: 90 | call DAXPY_OMP(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 116 | call DAXPY_OMP(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs.F:116:55: 90 | call DAXPY_OMP(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 116 | call DAXPY_OMP(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_lmbfgs2.F... pspw_lmbfgs2.F:83:32: 59 | call yscal(ngras,(-1.0d0),g,1) | 2 ...... 83 | call yscal(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs2.F:85:40: 26 | call pspw_Grsm_list_store(2*m-1,g) | 2 ...... 85 | call pspw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs2.F:97:25: 91 | > dbl_mb(ss(1)), | 2 ...... 97 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_lmbfgs2.F:102:35: 82 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 102 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs2.F:102:51: 82 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 102 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_lmbfgs3.F... pspw_lmbfgs3.F:80:40: 26 | call pspw_Grsm_list_store(2*m-1,g) | 2 ...... 80 | call pspw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs3.F:93:25: 86 | > dbl_mb(ss(1)), | 2 ...... 93 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_diis.F... pspw_diis.F:78:26: 25 | call ycopy(max_list*max_list,0.0d0,0,B,1) | 2 ...... 78 | call ycopy(max_list,d,1,c,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_diis.F:79:35: 25 | call ycopy(max_list*max_list,0.0d0,0,B,1) | 2 ...... 79 | call ycopy(max_list*max_list,B,1,A,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling pspw_rmmdiis.F... pspw_rmmdiis.F:144:41: 66 | call yaxpy(ngras,lambda,residual0,1,psi,1) | 2 ...... 144 | call yaxpy(ngras, alpha(i),dbl_mb(ri(1)),1,psi_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_rmmdiis.F:149:25: 111 | call Pack_cc_dot(1,dbl_mb(ri(1)),dbl_mb(rj(1)),alpha(indx)) | 2 ...... 149 | call Pack_cc_dot(1,psi_out,psi_out,w) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_rmmdiis.F:149:33: 111 | call Pack_cc_dot(1,dbl_mb(ri(1)),dbl_mb(rj(1)),alpha(indx)) | 2 ...... 149 | call Pack_cc_dot(1,psi_out,psi_out,w) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/Grsm_list' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/Grsm_list' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/Grsm_list' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/Grsm_list' Making all in aorbs make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/aorbs' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/aorbs' Compiling aorbs.F... aorbs.F:553:22: 552 | call iread(5,version,1) | 2 553 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aorbs.F:558:22: 554 | call dread(5,unita,9) | 2 ...... 558 | call dread(5,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:559:22: 554 | call dread(5,unita,9) | 2 ...... 559 | call dread(5,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:567:56: 565 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 566 | msglen = 3 567 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aorbs.F:574:56: 565 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 574 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,iatom) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aorbs.F:581:55: 569 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 581 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rcut) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:582:55: 569 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 582 | call Parallela_Brdcst_values(com_p,MASTER,msglen,lmbda) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:687:72: 687 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/aorbs' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/aorbs' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a aorbs.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/aorbs' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/aorbs' Making all in truncating_function make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/truncating_function' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/truncating_function' Compiling truncating_function.F... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/truncating_function' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/truncating_function' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a truncating_function.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/truncating_function' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/truncating_function' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib' Making all in kbpp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/kbpp' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/kbpp' Compiling psp_formatter_input.F... psp_formatter_input.F:238:36: 192 | > mt_int,1,kbpp_number)) | 2 ...... 238 | > mt_dbl,1,rlocal)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling psp_formatter.F... psp_formatter.F:78:33: 47 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 78 | > mt_dbl,1,rlocal) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). psp_formatter.F:98:58: 47 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 98 | value = value.and.btdb_get(rtdb,rtdb_ngrid,mt_int,3,ngrid) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psp_stress_formatter.F... psp_stress_formatter.F:79:33: 41 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 79 | > mt_dbl,1,rlocal) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). psp_stress_formatter.F:108:58: 41 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 108 | value = value.and.btdb_get(rtdb,rtdb_ngrid,mt_int,3,ngrid) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling pawppv1.F... pawppv1.F:117:48: 109 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 117 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pawppv1.F:426:23: 424 | call iwrite(2,psp_type,1) | 2 425 | call iwrite(2,version,1) 426 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pawppv1.F:430:23: 427 | call dwrite(2,unita,9) | 2 ...... 430 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:431:23: 427 | call dwrite(2,unita,9) | 2 ...... 431 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:448:41: 427 | call dwrite(2,unita,9) | 2 ...... 448 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:450:23: 427 | call dwrite(2,unita,9) | 2 ...... 450 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:461:23: 427 | call dwrite(2,unita,9) | 2 ...... 461 | call dwrite(2,core_kin_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:462:23: 427 | call dwrite(2,unita,9) | 2 ...... 462 | call dwrite(2,core_ion_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:467:23: 427 | call dwrite(2,unita,9) | 2 ...... 467 | call dwrite(2,log_amesh,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:468:23: 427 | call dwrite(2,unita,9) | 2 ...... 468 | call dwrite(2,r1,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:469:23: 427 | call dwrite(2,unita,9) | 2 ...... 469 | call dwrite(2,rmax,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:470:23: 427 | call dwrite(2,unita,9) | 2 ...... 470 | call dwrite(2,sigma,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:471:23: 427 | call dwrite(2,unita,9) | 2 ...... 471 | call dwrite(2,zion,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling hghppv1.F... hghppv1.F:121:27: 116 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) | 2 ...... 121 | call BRDCST(9+MSGDBL,rloc,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hghppv1.F:359:23: 357 | call iwrite(2,psp_type,1) | 2 358 | call iwrite(2,version,1) 359 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hghppv1.F:362:23: 360 | call dwrite(2,unita,9) | 2 361 | call cwrite(2,atom,2) 362 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghppv1.F:363:23: 360 | call dwrite(2,unita,9) | 2 ...... 363 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghppv1.F:380:41: 360 | call dwrite(2,unita,9) | 2 ...... 380 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghppv1.F:382:23: 360 | call dwrite(2,unita,9) | 2 ...... 382 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling HGH_local.F... Compiling HGH_nonlocal.F... Compiling Tesseral.F... Compiling kbppv3.F... kbppv3.F:110:48: 102 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 110 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3.F:371:23: 369 | call iwrite(2,psp_type,1) | 2 370 | call iwrite(2,version,1) 371 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3.F:374:23: 372 | call dwrite(2,unita,9) | 2 373 | call cwrite(2,atom,2) 374 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3.F:375:23: 372 | call dwrite(2,unita,9) | 2 ...... 375 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3.F:392:41: 372 | call dwrite(2,unita,9) | 2 ...... 392 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3.F:393:23: 372 | call dwrite(2,unita,9) | 2 ...... 393 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbppv3-stress.F... kbppv3-stress.F:100:27: 98 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 99 | call BRDCST(9+MSGDBL,amass,mdtob(msglen),MASTER) 100 | call BRDCST(9+MSGINT,lmax0,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). kbppv3-stress.F:104:27: 98 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 ...... 104 | call BRDCST(9+MSGDBL,rc,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3-stress.F:322:23: 321 | call iwrite(2,version,1) | 2 322 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling setup_kbpp.f... Compiling kbpp_ray.F... Compiling integrate_kbppv3.f... Compiling integrate_kbppv3_new.f... Compiling integrate_kbppv3_ray.f... Compiling integrate_stress.F... Compiling integrate_stress_new.F... Compiling integrate_stress_ray.F... Compiling aorbs_formatter.F... Compiling kbpp_orb.F... kbpp_orb.F:103:48: 96 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 103 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_orb.F:275:23: 274 | call iwrite(2,version,1) | 2 275 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_orb.F:280:23: 276 | call dwrite(2,unita,9) | 2 ...... 280 | call dwrite(2,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_orb.F:281:23: 276 | call dwrite(2,unita,9) | 2 ...... 281 | call dwrite(2,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling integrate_kbpp_orb.F... Compiling integrate_pawppv1.F... Compiling integrate_paw_ray.F... Compiling kbppv3d.F... kbppv3d.F:431:23: 429 | call iwrite(2,psp_type,1) | 2 430 | call iwrite(2,version,1) 431 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3d.F:434:23: 432 | call dwrite(2,unita,9) | 2 433 | call cwrite(2,atom,2) 434 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3d.F:435:23: 432 | call dwrite(2,unita,9) | 2 ...... 435 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3d.F:452:41: 432 | call dwrite(2,unita,9) | 2 ...... 452 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3d.F:453:23: 432 | call dwrite(2,unita,9) | 2 ...... 453 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbppv3d_stress.F... kbppv3d_stress.F:102:27: 100 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 101 | call BRDCST(9+MSGDBL,amass,mdtob(msglen),MASTER) 102 | call BRDCST(9+MSGINT,lmax0,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). kbppv3d_stress.F:106:27: 100 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 ...... 106 | call BRDCST(9+MSGDBL,rc,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3d_stress.F:321:23: 320 | call iwrite(2,version,1) | 2 321 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbppv3d.f... Compiling integrate_d_stress.F... Compiling integrate_kbppv3d_new.f... Compiling integrate_d_stress_new.F... Compiling kbppv3e.F... kbppv3e.F:124:48: 115 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 124 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e.F:125:49: 118 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 125 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e.F:405:23: 403 | call iwrite(2,psp_type,1) | 2 404 | call iwrite(2,version,1) 405 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e.F:408:23: 406 | call dwrite(2,unita,9) | 2 407 | call cwrite(2,atom,2) 408 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3e.F:409:23: 406 | call dwrite(2,unita,9) | 2 ...... 409 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3e.F:425:41: 406 | call dwrite(2,unita,9) | 2 ...... 425 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3e.F:426:23: 406 | call dwrite(2,unita,9) | 2 ...... 426 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbppv3e_stress.F... kbppv3e_stress.F:112:48: 105 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 112 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e_stress.F:113:49: 107 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 113 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e_stress.F:342:23: 341 | call iwrite(2,version,1) | 2 342 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbppv3e.f... Compiling integrate_kbppv3e_new.f... Compiling integrate_kbppv3e_ray.f... Compiling integrate_e_stress.F... Compiling integrate_e_stress_new.F... Compiling integrate_e_stress_ray.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/kbpp' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/kbpp' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a psp_formatter_input.o psp_formatter.o psp_stress_formatter.o pawppv1.o hghppv1.o HGH_local.o HGH_nonlocal.o Tesseral.o kbppv3.o kbppv3-stress.o setup_kbpp.o kbpp_ray.o integrate_kbppv3.o integrate_kbppv3_new.o integrate_kbppv3_ray.o integrate_stress.o integrate_stress_new.o integrate_stress_ray.o aorbs_formatter.o kbpp_orb.o integrate_kbpp_orb.o integrate_pawppv1.o integrate_paw_ray.o kbppv3d.o kbppv3d_stress.o integrate_kbppv3d.o integrate_d_stress.o integrate_kbppv3d_new.o integrate_d_stress_new.o kbppv3e.o kbppv3e_stress.o integrate_kbppv3e.o integrate_kbppv3e_new.o integrate_kbppv3e_ray.o integrate_e_stress.o integrate_e_stress_new.o integrate_e_stress_ray.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/kbpp' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/kbpp' Making all in makepsi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/makepsi' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/makepsi' Compiling wvfnc_init_input.F... wvfnc_init_input.F:244:43: 234 | > mt_int,1,nup)) | 2 ...... 244 | > mt_int,(4*nup+1),up_filling)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) wvfnc_init_input.F:249:45: 234 | > mt_int,1,nup)) | 2 ...... 249 | > mt_int,(4*ndown+1),down_filling)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) wvfnc_init_input.F:254:35: 234 | > mt_int,1,nup)) | 2 ...... 254 | > mt_log,1,restricted)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling wvfnc_init.F... wvfnc_init.F:56:57: 50 | value = btdb_get(rtdb,'wvfnc:nup', mt_int,1,ne(1)) | 2 ...... 56 | value = btdb_get(rtdb,'wvfnc:restricted', mt_log,1,restricted) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). wvfnc_init.F:115:20: 114 | call iwrite(6,version,1) | 2 115 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_init.F:118:20: 114 | call iwrite(6,version,1) | 2 ...... 118 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_init.F:141:22: 116 | call dwrite(6,unita,9) | 2 ...... 141 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_new.F... wvfnc_new.F:169:20: 168 | call iwrite(6,version,1) | 2 169 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_new.F:172:20: 168 | call iwrite(6,version,1) | 2 ...... 172 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_new.F:199:26: 170 | call dwrite(6,unita,9) | 2 ...... 199 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_new.F:297:30: 170 | call dwrite(6,unita,9) | 2 ...... 297 | call dwrite(6,fz,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) wvfnc_new.F:299:30: 170 | call dwrite(6,unita,9) | 2 ...... 299 | call dwrite(6,fy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) wvfnc_new.F:301:30: 170 | call dwrite(6,unita,9) | 2 ...... 301 | call dwrite(6,fx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling wvfnc_expander_input.F... Compiling wvfnc_expander.F... wvfnc_expander.F:63:19: 62 | call iread(5,version,1) | 2 63 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:66:19: 62 | call iread(5,version,1) | 2 ...... 66 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:76:20: 75 | call iwrite(6,version,1) | 2 76 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:79:20: 75 | call iwrite(6,version,1) | 2 ...... 79 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:109:23: 64 | call dread(5,unita,9) | 2 ...... 109 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_expander.F:116:24: 77 | call dwrite(6,unita,9) | 2 ...... 116 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_reformat.F... wvfnc_reformat.F:67:19: 66 | call iread(5,version,1) | 2 67 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:70:19: 66 | call iread(5,version,1) | 2 ...... 70 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:82:20: 81 | call iwrite(6,version,1) | 2 82 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:85:20: 81 | call iwrite(6,version,1) | 2 ...... 85 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:122:24: 68 | call dread(5,unita,9) | 2 ...... 122 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_reformat.F:123:24: 83 | call dwrite(6,unita2,9) | 2 ...... 123 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_ionize.F... wvfnc_ionize.F:84:19: 83 | call iread(5,version,1) | 2 84 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:87:19: 83 | call iread(5,version,1) | 2 ...... 87 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:102:20: 101 | call iwrite(6,version,1) | 2 102 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:105:20: 101 | call iwrite(6,version,1) | 2 ...... 105 | call iwrite(6,nne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:128:23: 85 | call dread(5,unita,9) | 2 ...... 128 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_ionize.F:134:26: 103 | call dwrite(6,unita,9) | 2 ...... 134 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_adjust.F... wvfnc_adjust.F:163:19: 162 | call iread(5,version,1) | 2 163 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:166:19: 162 | call iread(5,version,1) | 2 ...... 166 | call iread(5,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:172:20: 171 | call iwrite(6,version,1) | 2 172 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:175:20: 171 | call iwrite(6,version,1) | 2 ...... 175 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:220:22: 162 | call iread(5,version,1) | 2 ...... 220 | call iread(3,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:223:22: 162 | call iread(5,version,1) | 2 ...... 223 | call iread(3,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:240:28: 164 | call dread(5,unita,9) | 2 ...... 240 | call dread(5,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_adjust.F:300:26: 173 | call dwrite(6,unita,9) | 2 ...... 300 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_adjust.F:314:25: 162 | call iread(5,version,1) | 2 ...... 314 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:317:25: 162 | call iread(5,version,1) | 2 ...... 317 | call iread(5,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:336:28: 162 | call iread(5,version,1) | 2 ...... 336 | call iread(3,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:339:28: 162 | call iread(5,version,1) | 2 ...... 339 | call iread(3,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:404:19: 162 | call iread(5,version,1) | 2 ...... 404 | call iread(4,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:407:19: 162 | call iread(5,version,1) | 2 ...... 407 | call iread(4,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling wvfnc_convert_restricted.F... wvfnc_convert_restricted.F:60:19: 59 | call iread(5,version,1) | 2 60 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:63:19: 59 | call iread(5,version,1) | 2 ...... 63 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:78:20: 77 | call iwrite(6,version,1) | 2 78 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:81:20: 77 | call iwrite(6,version,1) | 2 ...... 81 | call iwrite(6,nne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:102:23: 61 | call dread(5,unita,9) | 2 ...... 102 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_convert_restricted.F:105:24: 79 | call dwrite(6,unita,9) | 2 ...... 105 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_convert_restricted.F:115:19: 59 | call iread(5,version,1) | 2 ...... 115 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:118:19: 59 | call iread(5,version,1) | 2 ...... 118 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling v_wvfnc_init_input.F... v_wvfnc_init_input.F:154:35: 144 | > mt_int,1,nup)) | 2 ...... 154 | > mt_log,1,restricted)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling v_wvfnc_init.F... v_wvfnc_init.F:46:59: 43 | value = btdb_get(rtdb,'v_wvfnc:nup', mt_int,1,ne(1)) | 2 ...... 46 | value = btdb_get(rtdb,'v_wvfnc:restricted', mt_log,1,restricted) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). v_wvfnc_init.F:90:20: 89 | call iwrite(6,version,1) | 2 90 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_init.F:93:20: 89 | call iwrite(6,version,1) | 2 ...... 93 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_init.F:103:22: 91 | call dwrite(6,unita,9) | 2 ...... 103 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling v_wvfnc_new.F... v_wvfnc_new.F:60:20: 59 | call iwrite(6,version,1) | 2 60 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_new.F:63:20: 59 | call iwrite(6,version,1) | 2 ...... 63 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_new.F:73:22: 61 | call dwrite(6,unita,9) | 2 ...... 73 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_wannier_input.F... pspw_wannier_input.F:104:60: 95 | if (.not.rtdb_put(rtdb,'wannier:maxiter',mt_int,1,it)) | 2 ...... 104 | if (.not.rtdb_put(rtdb,'wannier:time_step',mt_dbl,1,tstep)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling pspw_wannier.F... Compiling silvestrelli_overlap.F... silvestrelli_overlap.F:60:72: 60 | psis = rgrid(1) + n2ft3d | ^ Warning: 'rgrid' may be used uninitialized [-Wmaybe-uninitialized] silvestrelli_overlap.F:41:22: 41 | integer rgrid(2),Tc(2),Ts(2),psic,psis,Wc(2),Ws(2) | ^ note: 'rgrid' declared here silvestrelli_overlap.F:187:72: 187 | psis = rgrid(1) + n2ft3d | ^ Warning: 'rgrid' may be used uninitialized [-Wmaybe-uninitialized] silvestrelli_overlap.F:168:22: 168 | integer rgrid(2),Tc(2),Ts(2),psic,psis,Wc(2),Ws(2) | ^ note: 'rgrid' declared here Compiling silvestrelli_minimize.F... Compiling pspw_wannier_old.F... Compiling silvestrelli_overlap_old.F... silvestrelli_overlap_old.F:53:72: 53 | psic = rgrid(1) | ^ Warning: 'rgrid' may be used uninitialized [-Wmaybe-uninitialized] silvestrelli_overlap_old.F:38:22: 38 | integer rgrid(2),Tc(2),Ts(2),psic,psis | ^ note: 'rgrid' declared here Compiling silvestrelli_minimize_old.F... Compiling pspw_wannier2.F... pspw_wannier2.F:236:28: 221 | call Pack_c_Copy(1,dcpl_mb(psi(1) +(n-1)*npack1), | 2 ...... 236 | call Pack_c_Copy(1,dbl_mb(psi_r(1)+(n-1)*n2ft3d), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_wannier2.F:237:28: 222 | > dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 237 | > dcpl_mb(psi(1) +(n-1)*npack1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_translate.F... Compiling expand_cell.F... expand_cell.F:51:44: 38 | value = btdb_get(rtdb,'nwpw:cell_expand',mt_int,3,cell_expand) | 2 ...... 51 | if (btdb_get(rtdb,rtdb_unita,mt_dbl,9,amatrix)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling wvfnc_expand_cell.F... wvfnc_expand_cell.F:61:19: 60 | call iread(5,version,1) | 2 61 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:64:19: 60 | call iread(5,version,1) | 2 ...... 64 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:91:20: 90 | call iwrite(6,version,1) | 2 91 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:94:20: 90 | call iwrite(6,version,1) | 2 ...... 94 | call iwrite(6,dne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:121:23: 62 | call dread(5,unita,9) | 2 ...... 121 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_expand_cell.F:132:24: 92 | call dwrite(6,unita,9) | 2 ...... 132 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling band_reformat_c_wvfnc.F... band_reformat_c_wvfnc.F:49:19: 48 | call iread(5,version,1) | 2 49 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:52:19: 48 | call iread(5,version,1) | 2 ...... 52 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:67:20: 66 | call iwrite(6,version,1) | 2 67 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:70:20: 66 | call iwrite(6,version,1) | 2 ...... 70 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:116:23: 50 | call dread(5,unita,9) | 2 ...... 116 | call dread(5,dcpl_mb(cfull_in(1)),2*nfft3d_in) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_reformat_c_wvfnc.F:120:23: 68 | call dwrite(6,unita,9) | 2 ...... 120 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_reformat_c_wvfnc.F:197:19: 48 | call iread(5,version,1) | 2 ...... 197 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:200:19: 48 | call iread(5,version,1) | 2 ...... 200 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:215:20: 66 | call iwrite(6,version,1) | 2 ...... 215 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:218:20: 66 | call iwrite(6,version,1) | 2 ...... 218 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:346:19: 48 | call iread(5,version,1) | 2 ...... 346 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:349:19: 48 | call iread(5,version,1) | 2 ...... 349 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:364:20: 66 | call iwrite(6,version,1) | 2 ...... 364 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:367:20: 66 | call iwrite(6,version,1) | 2 ...... 367 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling makenodefunctions.F... makenodefunctions.F:113:72: 113 | call psi_derivative_f(itype,gx,gy,gz,psir) | 1 Warning: Type mismatch in argument 'f' at (1); passed REAL(8) to COMPLEX(8) makenodefunctions.F:133:28: 112 | call Pack_c_Copy(1,psiin(shift1),psir) | 2 ...... 133 | call Pack_c_copy(1,psir,psiout(shift1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). makenodefunctions.F:133:33: 112 | call Pack_c_Copy(1,psiin(shift1),psir) | 2 ...... 133 | call Pack_c_copy(1,psir,psiout(shift1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/makepsi' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/makepsi' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a wvfnc_init_input.o wvfnc_init.o wvfnc_new.o wvfnc_expander_input.o wvfnc_expander.o wvfnc_reformat.o wvfnc_ionize.o wvfnc_adjust.o wvfnc_convert_restricted.o v_wvfnc_init_input.o v_wvfnc_init.o v_wvfnc_new.o pspw_wannier_input.o pspw_wannier.o silvestrelli_overlap.o silvestrelli_minimize.o pspw_wannier_old.o silvestrelli_overlap_old.o silvestrelli_minimize_old.o pspw_wannier2.o pspw_translate.o expand_cell.o wvfnc_expand_cell.o band_reformat_c_wvfnc.o makenodefunctions.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/makepsi' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/makepsi' Making all in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cpsd' Compiling cpsd_input.F... cpsd_input.F:136:54: 116 | > geometry_optimize) | 2 ...... 136 | value = rtdb_put(rtdb,'cpsd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cpmd_input.F... cpmd_input.F:172:54: 155 | > geometry_optimize) | 2 ...... 172 | value = rtdb_put(rtdb,'cpmd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cpsdv5.F... cpsdv5.F:790:2: 790 | #warning backspace | 1~~~~~~ Warning: #warning backspace [-Wcpp] Compiling cpmdv5.F... cpsdv5.F:995:19: 230 | call ycopy(60,0.0d0,0,E,1) | 2 ...... 995 | > dcpl_mb(psi1(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsdv5.F:996:19: 230 | call ycopy(60,0.0d0,0,E,1) | 2 ...... 996 | > dcpl_mb(psi2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpmdv5.F:354:50: 230 | call ycopy(60,0.0d0,0,E,1) | 2 ...... 354 | call ycopy(2*npack1*(neq(1)+neq(2)),0.0d0,0,dcpl_mb(psi1(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpmdv5.F:412:42: 230 | call ycopy(60,0.0d0,0,E,1) | 2 ...... 412 | call ycopy(2*(neq(1)+neq(2))*npack1,dcpl_mb(psi1(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling mmsdv1.F... Compiling inner_loop_md.F... inner_loop_md.F:465:27: 444 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 465 | > dcpl_mb(tmp1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_md.F:531:30: 461 | call D3dB_r_Zero(1,dcpl_mb(tmp1(1))) | 2 ...... 531 | call D3dB_r_Zero(1,dbl_mb(v_field(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling mm_loop.F... Compiling psi_lmbda.f... Compiling psi_lmbda_sic.f... Compiling psi_lmbda_paw.f... Compiling psi_lmbda2.f... Compiling psi_lmbda3.f... psi_lmbda3.f:179:20: 126 | > tmp(s21),n, | 2 ...... 179 | > psi1(1,n1(ms)),2*npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi_lmbda3.f:182:20: 129 | > tmp(sa1),n) | 2 ...... 182 | > psi2(1,n1(ms)),2*npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling psi_lmbda_omp.F... Compiling fei_output.F... Compiling dipole_motion.F... Compiling pspw_et.F... pspw_et.F:1594:41: 1500 | call ycopy(n2ft3d,0.0d0,0,rho,1) | 2 ...... 1594 | call ycopy(2*nemaxq*npack1,0.0d0,0,dcpl_mb(Hpsi2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling runsocket.F... runsocket.F:100:42: 72 | call nwpw_talker_read(sock,msg,12) | 2 ...... 100 | call nwpw_talker_read(sock,unita,9*8) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). runsocket.F:148:43: 94 | call nwpw_talker_write(sock,statebuffer,12) | 2 ...... 148 | call nwpw_talker_write(sock,energy,8) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). Compiling inner_loop.F... inner_loop.F:477:27: 451 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 477 | > dcpl_mb(tmp1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop.F:538:30: 473 | call D3dB_r_Zero(1,dcpl_mb(tmp1(1))) | 2 ...... 538 | call D3dB_r_Zero(1,dbl_mb(v_field(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cpsd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a cpsd_input.o cpmd_input.o cpsdv5.o cpmdv5.o mmsdv1.o inner_loop_md.o mm_loop.o psi_lmbda.o psi_lmbda_sic.o psi_lmbda_paw.o psi_lmbda2.o psi_lmbda3.o psi_lmbda_omp.o fei_output.o dipole_motion.o pspw_et.o runsocket.o psi_lmbda_omp.o inner_loop.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cpsd' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cpsd' Making all in cgsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cgsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cgsd' Compiling cgsd_input.F... cgsd_input.F:445:54: 437 | > frac_coord) | 2 ...... 445 | > rtdb_put(rtdb,'cgsd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling pspw_noit_energy.F... Compiling pspw_energy.F... pspw_energy.F:65:51: 49 | > runme)) | 2 ...... 65 | if (rtdb_get(rtdb,'cgsd:wcut',mt_dbl,1,wcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). pspw_energy.F:114:21: 82 | value = rtdb_put(rtdb,'cgsd:wcut',mt_dbl,1,wcut) | 2 ...... 114 | > .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling pspw_gradient.F... Compiling pspw_bq_gradient.F... Compiling pspw_stress.F... Compiling cgsdv5.F... cgsdv5.F:709:25: 706 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 709 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgsdv5.F:712:25: 706 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 712 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgsdv5.F:724:25: 706 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 724 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgsdv5.F:727:25: 706 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 727 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cgmontecarlov1.F... cgmontecarlov1.F:769:27: 197 | call ycopy(30,0.0d0,0,E,1) | 2 ...... 769 | call ycopy(9,mc_unita1,1,mc_unita2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgmontecarlov1.F:1056:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1056 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmontecarlov1.F:1059:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1059 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmontecarlov1.F:1069:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1069 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgmontecarlov1.F:1072:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1072 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cgoptimize1.F... cgoptimize1.F:716:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 716 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgoptimize1.F:719:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 719 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgoptimize1.F:729:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 729 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgoptimize1.F:732:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 732 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cgmdv5.F... cgsdv5.F:648:13: 648 | if (EVQ.gt.0.0d0) write(LuOut,1601) EV+EVQ | ^ Warning: 'evq' may be used uninitialized [-Wmaybe-uninitialized] cgsdv5.F:61:20: 61 | real*8 EV,EVQ,pi,rs | ^ note: 'evq' was declared here cgmdv5.F:1079:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1079 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmdv5.F:1082:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1082 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmdv5.F:1092:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1092 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgmdv5.F:1095:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1095 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling mmmdv1.F... mmmdv1.F:719:25: 716 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 719 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) mmmdv1.F:729:25: 716 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 729 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) mmmdv1.F:732:25: 716 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 732 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cgsd_noit_energy.F... cgoptimize1.F:429:13: 429 | if (opt_algorithm.eq.0) then | ^ Warning: 'opt_algorithm' may be used uninitialized [-Wmaybe-uninitialized] cgoptimize1.F:75:27: 75 | integer opt_algorithm | ^ note: 'opt_algorithm' was declared here cgmontecarlov1.F:832:72: 832 | > dbl_mb(ion_rion_ptr())) | ^ Warning: 'frac1[0]' may be used uninitialized [-Wmaybe-uninitialized] cgmontecarlov1.F:81:35: 81 | integer vcount,geom1,frac1(2),nion1 | ^ note: 'frac1[0]' was declared here Compiling cgsd_energy.F... cgsd_energy.F:281:36: 279 | call ecce_print1('iteration counter', mt_int,icount*it_in,1) | 2 280 | call ecce_print1('iterative total energy difference', 281 | > mt_dbl, deltae, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cgsd_energy.F:1209:19: 101 | call ycopy(40,0.0d0,0,E,1) | 2 ...... 1209 | call ycopy(9,tstress,1,xcstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgsd_energy.F:1547:19: 101 | call ycopy(40,0.0d0,0,E,1) | 2 ...... 1547 | call ycopy(9,tstress,1,xcstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling cgsd_excited.F... Compiling cgsd_oep_eigenvalues.F... Compiling cgminimize.F... Compiling cgminimize2.F... Compiling cgminimizeABC.F... Compiling bfgsminimize.F... Compiling bfgsminimize2.F... Compiling bfgsminimize3.F... Compiling bfgsminimizeABC.F... Compiling bybminimize0.F... Compiling bybminimize.F... bybminimize.F:270:72: 270 | deltae = Enew-Eold | ^ Warning: 'enew' may be used uninitialized [-Wmaybe-uninitialized] bybminimize.F:45:21: 45 | real*8 Enew,Eold,alpha | ^ note: 'enew' was declared here Compiling bybminimize2.F... Compiling sdminimize.F... Compiling nominimize.F... Compiling md_energy.F... Compiling kp_structure.F... kp_structure.F:122:72: 122 | dist = dist + (kv(3)-kold(3))**2 | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] kp_structure.F:28:33: 28 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[2]' was declared here kp_structure.F:121:72: 121 | dist = dist + (kv(2)-kold(2))**2 | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] kp_structure.F:28:33: 28 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[1]' was declared here kp_structure.F:120:72: 120 | dist = (kv(1)-kold(1))**2 | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] kp_structure.F:28:33: 28 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here Compiling pspw_director.F... pspw_director.F:215:34: 215 | common /pspw_director_lines/ lines,nlines | 1 Warning: Padding of 2 bytes required before 'nlines' in COMMON 'pspw_director_lines' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] pspw_director.F:179:34: 179 | common /pspw_director_lines/ lines,nlines | 1 Warning: Padding of 2 bytes required before 'nlines' in COMMON 'pspw_director_lines' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] pspw_director.F:154:34: 154 | common /pspw_director_lines/ lines,nlines | 1 Warning: Padding of 2 bytes required before 'nlines' in COMMON 'pspw_director_lines' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] pspw_director.F:135:34: 135 | common /pspw_director_lines/ lines,nlines | 1 Warning: Padding of 2 bytes required before 'nlines' in COMMON 'pspw_director_lines' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cgsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cgsd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a cgsd_input.o pspw_noit_energy.o pspw_energy.o pspw_gradient.o pspw_bq_gradient.o pspw_stress.o cgsdv5.o cgmontecarlov1.o cgoptimize1.o cgmdv5.o mmmdv1.o cgsd_noit_energy.o cgsd_energy.o cgsd_excited.o cgsd_oep_eigenvalues.o cgminimize.o cgminimize2.o cgminimizeABC.o bfgsminimize.o bfgsminimize2.o bfgsminimize3.o bfgsminimizeABC.o bybminimize0.o bybminimize.o bybminimize2.o sdminimize.o nominimize.o md_energy.o kp_structure.o pspw_director.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cgsd' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cgsd' Making all in analysis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/analysis' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/analysis' Making all in APC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/analysis/APC' Compiling analysis_input.F... make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/analysis/APC' Compiling analysis.F... analysis.F:167:40: 144 | if (.not. btdb_get(rtdb,id,mt_int,1,int_mb(lorb(1)+k-1))) then | 2 ...... 167 | > dbl_mb(b0(1)+(k-1)*6))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling orb_pop.F... Compiling orb_pop_kawai.F... Compiling orb_pop_aorb.F... Compiling orb.F... orb.F:75:45: 69 | if (.not. btdb_get(rtdb,id,mt_int,1,int_mb(lorb(1)+k-1))) | 2 ...... 75 | > dbl_mb(b0(1)+(k-1)*6))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling pspw_Lubin_water_analysis.F... Compiling pspw_atom_analysis.F... Compiling pspw_APC.F... pspw_APC.F:1313:47: 1313 | > + dbl_mb(nwpw_born_u_ptr(1)+ii-1) | 1 Warning: More actual than formal arguments in procedure call at (1) pspw_APC.F:1404:55: 1309 | call Parallel_shared_vector_zero(.true.,ngs,dbl_mb(u(1))) | 2 ...... 1404 | call Parallel_shared_vector_zero(.true.,2*npack0,dcpl_mb(vtmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_APC.F:1220:47: 1220 | > + dbl_mb(nwpw_born_u_ptr(1)+ii-1) | 1 Warning: More actual than formal arguments in procedure call at (1) pspw_APC.F:62:52: 54 | if (.not.btdb_get(rtdb,'nwpw:APC',mt_log,1,doapc)) | 2 ...... 62 | value = btdb_get(rtdb,'nwpw_APC:nga',mt_int,1,nga) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling pspw_atom_Efield.F... Compiling util_diag_jacobi.F... pspw_APC.F:358:72: 358 | > dbl_mb(b(1)+ngs+(i-1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] pspw_APC.F:267:18: 267 | integer G(3) | ^ note: 'g[0]' was declared here pspw_APC.F:361:72: 361 | > dbl_mb(b(1)+2*ngs+(i-1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] pspw_APC.F:267:18: 267 | integer G(3) | ^ note: 'g[1]' was declared here pspw_APC.F:364:72: 364 | > dbl_mb(b(1)+3*ngs+(i-1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] pspw_APC.F:267:18: 267 | integer G(3) | ^ note: 'g[2]' was declared here Compiling util_sorteps.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/analysis' Compiling pspw_atom_Efield_grad.F... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/analysis/APC' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/analysis/APC' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a pspw_APC.o pspw_atom_Efield.o util_diag_jacobi.o util_sorteps.o pspw_atom_Efield_grad.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/analysis/APC' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/analysis/APC' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/analysis' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a analysis_input.o analysis.o orb_pop.o orb_pop_kawai.o orb_pop_aorb.o orb.o pspw_Lubin_water_analysis.o pspw_atom_analysis.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/analysis' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/analysis' Making all in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cell_optimize' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cell_optimize' Compiling cell_optimize_input.F... cell_optimize_input.F:250:32: 244 | > mt_int,1,optimize_strategy) | 2 ...... 250 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cell_optimize_input.F:253:32: 244 | > mt_int,1,optimize_strategy) | 2 ...... 253 | > mt_int,9,optimize_lattice_vectors) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cell_optimize_input.F:256:32: 244 | > mt_int,1,optimize_strategy) | 2 ...... 256 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling cell_optimize.F... cell_optimize.F:44:32: 36 | > mt_int,1,optimize_strategy) | 2 ...... 44 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cell_optimize.F:48:32: 36 | > mt_int,1,optimize_strategy) | 2 ...... 48 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling update_unitcell.F... update_unitcell.F:31:72: 31 | call load_cellgeometry(geom,dbl_mb(r1(1)),unita) | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] update_unitcell.F:15:19: 15 | integer r1(2),nion,nionplus3 | ^ note: 'r1' declared here Compiling pspw_stress_numerical.F... Compiling pspw_force_numerical.F... Compiling force_fd.F... Compiling stress_fd.F... stress_fd.F:131:53: 120 | > mt_log,1,lstress_numerical)) | 2 ...... 131 | > btdb_get(rtdb,'pspw:stress_alpha',mt_dbl,1,alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). stress_fd.F:192:19: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 192 | call ycopy(9,unita,1,unita2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) stress_fd.F:324:19: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 324 | call ycopy(9,unita,1,unita3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) stress_fd.F:497:19: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 497 | call ycopy(9,all_stress,1,stress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) stress_fd.F:511:25: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 511 | call ycopy(6,lattice,1,lattice2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) stress_fd.F:620:25: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 620 | call ycopy(6,lattice,1,lattice3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) stress_fd.F:798:22: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 798 | call ycopy(6,all_lstress,1,lstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) force_fd.F:47:72: 47 | > BA_alloc_get(mt_dbl,(3*nion),'r1',r1(2),r1(1)) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] force_fd.F:21:29: 21 | integer r1(2),geom,nion | ^ note: 'nion' declared here force_fd.F:47:72: 47 | > BA_alloc_get(mt_dbl,(3*nion),'r1',r1(2),r1(1)) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] force_fd.F:21:29: 21 | integer r1(2),geom,nion | ^ note: 'nion' declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cell_optimize' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cell_optimize' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a cell_optimize_input.o cell_optimize.o update_unitcell.o pspw_stress_numerical.o pspw_force_numerical.o force_fd.o stress_fd.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cell_optimize' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cell_optimize' Making all in qmmm make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm' Making all in pspw_LJ make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_LJ' Compiling pspw_qmmm_input.F... make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_LJ' pspw_qmmm_input.F:170:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 170 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,npair) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). pspw_qmmm_input.F:501:57: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 501 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,1,alpha) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:534:49: 168 | if (.not.rtdb_get(rtdb,rtdb_name,mt_int,1,npair)) npair = 0 | 2 ...... 534 | > mt_dbl,(2*basis_length-2),dbl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_qmmm_input.F:560:57: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 560 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,1,alpha) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:730:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 730 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rin) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:736:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 736 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rout) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:1438:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 1438 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rin) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:1444:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 1444 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rout) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:2115:51: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 2115 | if (.not.rtdb_put(rtdb,rtdb_name,mt_dbl,1,alpha)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling pspw_qmmm.F... Compiling pspw_2qmmm.F... pspw_qmmm.F:106:46: 70 | if (.not.btdb_get(rtdb,rtdb_name,mt_log,1,value)) value = .false. | 2 ...... 106 | if (btdb_get(rtdb,rtdb_name,mt_dbl,1,qmmm_lmbda)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). pspw_2qmmm.F:78:46: 60 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,nfrag)) nfrag = 0 | 2 ...... 78 | if (btdb_get(rtdb,rtdb_name,mt_dbl,1,qmmm_lmbda)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling pspw_springs.F... Compiling pspw_LJ.F... pspw_LJ.F:99:59: 68 | value = btdb_get(rtdb,rtdbname(1:j),mt_dbl,2,sigma_epsilon) | 2 ...... 99 | if (.not.btdb_get(rtdb,'pspw_LJ_include_qm',mt_log,1,include_qm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_LJ' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_LJ' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a pspw_LJ.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_LJ' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_LJ' Making all in pspw_Q make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_Q' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_Q' Compiling pspw_Q.F... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_Q' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_Q' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a pspw_Q.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_Q' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_Q' Making all in pspw_Pair make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_Pair' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_Pair' Compiling pspw_Pair.F... pspw_Pair.F:72:33: 63 | if (.not.btdb_get(rtdb,rtdbname(1:k),mt_dbl,2,sigma_epsilon)) | 2 ...... 72 | > mt_log,1,include_lj_qm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_Pair' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_Pair' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a pspw_Pair.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_Pair' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_Pair' Making all in mmq make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/mmq' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/mmq' Compiling mmq.F... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/mmq' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/mmq' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a mmq.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/mmq' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/mmq' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a pspw_qmmm_input.o pspw_qmmm.o pspw_2qmmm.o pspw_springs.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm' Making all in charge make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/charge' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/charge' Compiling pspw_charge.F... pspw_charge.F:110:51: 103 | > 'nwpw:charge_type',mt_int,1,charge_type)) then | 2 ...... 110 | > 'nwpw:charge_dielectric_d',mt_dbl,1,s_d)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_charge.F:677:44: 675 | call Parallel_shared_vector_zero(.false.,n2ft3d,Vqm) | 2 676 | call Parallel_shared_vector_zero(.false.,2*npack0, 677 | > dcpl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_charge.F:686:43: 684 | call Pack_cc_daxpy(0,q1,dcpl_mb(exi(1)),Vqm) | 2 685 | call Pack_cc_daxpy(0,dabs(q1),dcpl_mb(exi(1)), 686 | > dcpl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_charge.F:692:53: 691 | call Pack_tc_Mul2(0,dbl_mb(vc_charge(1)),Vqm) | 2 692 | call Pack_tc_Mul2(0,dbl_mb(vc2_charge(1)),dcpl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_efield.F... pspw_efield.F:31:59: 27 | if (.not.btdb_get(rtdb,'nwpw:efield',mt_log,1,efield_on)) | 2 ...... 31 | if(.not.btdb_get(rtdb,'nwpw:efield_type',mt_int,1,efield_type)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/charge' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/charge' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a pspw_charge.o pspw_efield.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/charge' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/charge' Making all in dplot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/dplot' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/dplot' Compiling pspw_dplot_input.F... pspw_dplot_input.F:291:42: 82 | value = rtdb_put(rtdb,'pspw_dplot:count',mt_int,1,count) | 2 ...... 291 | > mt_dbl,3,x) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_dplot_input.F:602:57: 82 | value = rtdb_put(rtdb,'pspw_dplot:count',mt_int,1,count) | 2 ...... 602 | if (.not.rtdb_put(rtdb,'pspw_dplot:ncell',mt_int,3,ncell)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling pspw_dplot.F... pspw_dplot.F:698:72: 698 | call pspw_add_core_dng(1.0d0,dbl_mb(rho(1))) | 1 Warning: Type mismatch in argument 'dng' at (1); passed REAL(8) to COMPLEX(8) pspw_dplot.F:753:62: 513 | if (btdb_get(rtdb,'pspw_dplot:3d_grid:nx',mt_int,1,i)) | 2 ...... 753 | if (.not.btdb_get(rtdb,name2(1:name2_len),mt_dbl,3,x)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_dplot.F:778:50: 618 | 710 call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 778 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dcpl_mb(rhog(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_dplot.F:779:32: 673 | call D3dB_rc_fft3f(1,dbl_mb(rho(1))) | 2 ...... 779 | call D3dB_rc_fft3f(1,dcpl_mb(rhog(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_dplot.F:987:57: 513 | if (btdb_get(rtdb,'pspw_dplot:3d_grid:nx',mt_int,1,i)) | 2 ...... 987 | if (.not.btdb_get(rtdb,'pspw_dplot:ncell',mt_int,3,ncell)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_dplot.F:2078:25: 674 | call Pack_c_pack(1,dbl_mb(rho(1))) | 2 ...... 2078 | call Pack_c_pack(0,dcpl_mb(tmp2(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_dplot.F:423:33: 423 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) | 1 ...... 2076 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp2(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_dplot.F:93:57: 93 | if (.not.btdb_get(rtdb,'pspw_dplot:ncell',mt_int,3,ncell)) then | 1 ...... 513 | if (btdb_get(rtdb,'pspw_dplot:3d_grid:nx',mt_int,1,i)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_dplot.F:261:72: 261 | > fractional,dbl_mb(occ2(1))) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed COMPLEX(8) to REAL(8) pspw_dplot.F:273:72: 273 | > .false.,tag) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed COMPLEX(8) to REAL(8) Compiling pspw_dplot_iteration.F... Compiling ELF.F... ELF.F:83:30: 72 | call D3dB_r_Zero_Ends(1,dbl_mb(dns(1))) | 2 ...... 83 | call D3dB_r_Zero_Ends(1,dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ELF.F:105:35: 105 | call ycopy(n2ft3d,0.0d0,0,dcpl_mb(dng(1)),1) | 1 ...... 187 | call ycopy(nfft3d,dbl_mb(G_indx(1)),1,dbl_mb(Gx(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling Ursenbach_smoother.F... ELF.F:446:72: 446 | tsum = tsum * dv | ^ Warning: 'tsum' is used uninitialized [-Wuninitialized] ELF.F:385:27: 385 | real*8 summ(100),tsum,msum,x,y,z,dv,dx,dy,dz,rr,rrmin | ^ note: 'tsum' declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/dplot' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/dplot' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a pspw_dplot_input.o pspw_dplot.o pspw_dplot_iteration.o ELF.o Ursenbach_smoother.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/dplot' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/dplot' Making all in lcao make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lcao' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lcao' Compiling lcao_wvfnc.F... Compiling wvfnc_new_lcao_density.F... wvfnc_new_lcao_density.F:371:29: 358 | > call D3dB_rr_Sum2(1,dbl_mb(v_field(1)),dbl_mb(vall(1))) | 2 ...... 371 | call D3dB_rr_Sum2(1,dcpl_mb(vc(1)),dbl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling lcao_write_matrix.F... Compiling lcao_generate_smatrix.F... Compiling lcao_generate_kematrix.F... Compiling lcao_generate_vlmatrix.F... lcao_generate_vlmatrix.F:98:30: 75 | call Pack_c_unpack(0,dcpl_mb(vl(1))) | 2 ...... 98 | call Pack_c_unpack(1,dbl_mb(vpsi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vlmatrix.F:99:33: 76 | call D3dB_cr_pfft3b(1,0,dcpl_mb(vl(1))) | 2 ...... 99 | call D3dB_cr_pfft3b(1,1,dbl_mb(vpsi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vlmatrix.F:112:28: 97 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 112 | call Pack_c_Copy(1,dbl_mb(vpsi),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vlmatrix.F:112:41: 97 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 112 | call Pack_c_Copy(1,dbl_mb(vpsi),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). lcao_generate_vlmatrix.F:40:72: 40 | vpsi = vlr_l(1) | ^ Warning: 'vlr_l' may be used uninitialized [-Wmaybe-uninitialized] lcao_generate_vlmatrix.F:20:28: 20 | integer vl(2),vlr_l(2),rgrid(2),vpsi | ^ note: 'vlr_l' declared here Compiling lcao_generate_vnlmatrix.F... Compiling lcao_generate_vhxcmatrix.F... lcao_generate_vhxcmatrix.F:172:31: 152 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 172 | call Pack_c_Copy(1,dbl_mb(vall),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vhxcmatrix.F:172:44: 152 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 172 | call Pack_c_Copy(1,dbl_mb(vall),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling lcao_init_dn.F... Compiling lcao_new_dn.F... Compiling lcao_make_psi.F... Compiling lcao_write_psi.F... lcao_write_psi.F:73:23: 72 | call iwrite(6,version,1) | 2 73 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) lcao_write_psi.F:76:23: 72 | call iwrite(6,version,1) | 2 ...... 76 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) lcao_write_psi.F:185:23: 72 | call iwrite(6,version,1) | 2 ...... 185 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) lcao_write_psi.F:188:23: 72 | call iwrite(6,version,1) | 2 ...... 188 | call iwrite(6,ne_excited,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling lcaov1.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lcao' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lcao' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a lcao_wvfnc.o wvfnc_new_lcao_density.o lcao_write_matrix.o lcao_generate_smatrix.o lcao_generate_kematrix.o lcao_generate_vlmatrix.o lcao_generate_vnlmatrix.o lcao_generate_vhxcmatrix.o lcao_init_dn.o lcao_new_dn.o lcao_make_psi.o lcao_write_psi.o lcaov1.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lcao' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lcao' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a task_pspw.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpspw.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw' Making all in paw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw' Compiling task_paw.F... Making all in paw_geometry make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_geometry' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_geometry' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_geometry' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_geometry' Making all in paw_ma make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ma' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ma' Compiling paw_ma.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ma' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ma' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a paw_ma.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ma' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ma' Making all in paw_utils make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_utils' Compiling integrate.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_utils' Compiling paw_utils.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling io_utils.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling chkerr.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling double_factorial.f... double_factorial.f:15:72: 15 | end | ^ Warning: '__result_double_factorial' may be used uninitialized [-Wmaybe-uninitialized] double_factorial.f:1:48: 1 | double precision function double_factorial(n) | ^ note: '__result_double_factorial' was declared here Compiling bessel_transform.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_gauss_weights.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_spher_grid.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_utils' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_utils' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a integrate.o paw_utils.o io_utils.o chkerr.o double_factorial.o bessel_transform.o paw_gauss_weights.o paw_spher_grid.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_utils' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_utils' Making all in paw_basis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_basis' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_basis' Compiling paw_basis.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] paw_basis.F:365:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 365 | call BRDCST(9+MSGINT,nbasis,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). paw_basis.F:375:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 375 | call BRDCST(9+MSGDBL,eig, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:379:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 379 | call BRDCST(9+MSGDBL,core_density, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:380:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 380 | call BRDCST(9+MSGDBL,ps_core_density,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:381:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 381 | call BRDCST(9+MSGDBL,v_ps, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:385:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 385 | call BRDCST(9+MSGDBL,phi_ae, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:386:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 386 | call BRDCST(9+MSGDBL,phi_ps, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:387:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 387 | call BRDCST(9+MSGDBL,phi_ae_prime,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:388:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 388 | call BRDCST(9+MSGDBL,phi_ps_prime,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:389:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 389 | call BRDCST(9+MSGDBL,prj_ps, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:390:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 390 | call BRDCST(9+MSGDBL,prj_ps0, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling paw_small_basis.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_basis_data.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_basis' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_basis' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a paw_basis.o paw_small_basis.o paw_basis_data.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_basis' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_basis' Making all in paw_proj make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_proj' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_proj' Compiling paw_proj.F... paw_proj.F:522:22: 520 | call iread(5,ngrid,3) | 2 521 | call dread(5,unita,9) 522 | call iread(5,nbasis,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:529:27: 527 | call BRDCST(9+MSGINT,ngrid,mitob(msglen),MASTER) | 2 528 | msglen = 9 529 | call BRDCST(9+MSGDBL,unita,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). paw_proj.F:531:27: 527 | call BRDCST(9+MSGINT,ngrid,mitob(msglen),MASTER) | 2 ...... 531 | call BRDCST(9+MSGINT,nbasis,mitob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:605:22: 520 | call iread(5,ngrid,3) | 2 ...... 605 | call iread(5,nbasis,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:615:27: 527 | call BRDCST(9+MSGINT,ngrid,mitob(msglen),MASTER) | 2 ...... 615 | call BRDCST(9+MSGINT,nbasis,mitob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:709:23: 707 | call iwrite(6,ngrid,3) | 2 708 | call dwrite(6,unita,9) 709 | call iwrite(6,nbasis,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:808:27: 707 | call iwrite(6,ngrid,3) | 2 ...... 808 | call iwrite(6,l,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:809:27: 707 | call iwrite(6,ngrid,3) | 2 ...... 809 | call iwrite(6,m,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'IMAGPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'IMAGPART_EXPR ' was declared here paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'REALPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'REALPART_EXPR ' was declared here paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'REALPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'REALPART_EXPR ' was declared here paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'IMAGPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'IMAGPART_EXPR ' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_proj' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_proj' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a paw_proj.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_proj' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_proj' Making all in paw_matrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_matrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_matrix' Compiling paw_comp_charge_matrix.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_matrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_matrix' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a paw_comp_charge_matrix.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_matrix' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_matrix' Making all in paw_ovlp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ovlp' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ovlp' Compiling paw_ovlp.F... Compiling paw_overlap_matrix.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ovlp' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ovlp' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a paw_ovlp.o paw_overlap_matrix.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ovlp' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ovlp' Making all in paw_comp_charge make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_comp_charge' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_comp_charge' Compiling paw_comp_charge.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_comp_charge' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_comp_charge' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a paw_comp_charge.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_comp_charge' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_comp_charge' Making all in paw_special_functions make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_special_functions' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_special_functions' Compiling paw_spher_func.F... Compiling paw_double_factorial.F... Compiling paw_gamma_function.F... Compiling paw_hypergeom1F1.F... paw_hypergeom1F1.F:12:48: 12 | DOUBLE PRECISION FUNCTION PAW_HYPERGEOM1F1 (N, L, Z) | ^ Warning: '__result_paw_hypergeom1f1' may be used uninitialized [-Wmaybe-uninitialized] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_special_functions' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_special_functions' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a paw_spher_func.o paw_double_factorial.o paw_gamma_function.o paw_hypergeom1F1.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_special_functions' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_special_functions' Making all in paw_gaunt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_gaunt' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_gaunt' Compiling paw_gaunt.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_gaunt' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_gaunt' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a paw_gaunt.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_gaunt' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_gaunt' Making all in paw_kinetic make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_kinetic' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_kinetic' Compiling paw_energy_kin_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_matrix_kin.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_kinetic' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_kinetic' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a paw_energy_kin_atom.o paw_matrix_kin.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_kinetic' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_kinetic' Making all in paw_vloc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_vloc' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_vloc' Compiling paw_energy_vloc_atom.F... Compiling paw_matrix_vloc.F... Compiling paw_vloc.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_vloc' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_vloc' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a paw_energy_vloc_atom.o paw_matrix_vloc.o paw_vloc.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_vloc' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_vloc' Making all in paw_ion_potential make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ion_potential' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ion_potential' Compiling paw_energy_ion_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_matrix_ion.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ion_potential' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ion_potential' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a paw_energy_ion_atom.o paw_matrix_ion.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ion_potential' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ion_potential' Making all in paw_core make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_core' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_core' Compiling paw_energy_core_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_matrix_core.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_core' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_core' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a paw_energy_core_atom.o paw_matrix_core.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_core' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_core' Making all in paw_hartree make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_hartree' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_hartree' Compiling paw_matrix_hartree.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_pot_hartree.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_energy_hartree_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_hartree' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_hartree' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a paw_matrix_hartree.o paw_pot_hartree.o paw_energy_hartree_atom.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_hartree' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_hartree' Making all in paw_comp_pot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_comp_pot' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_comp_pot' Compiling paw_matrix_comp_pot.F... Compiling paw_pot_comp.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_comp_pot' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_comp_pot' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a paw_matrix_comp_pot.o paw_pot_comp.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_comp_pot' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_comp_pot' Making all in paw_mult make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_mult' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_mult' Compiling paw_mult.F... paw_mult.F:1118:40: 1118 | call ycopy((lmax+1)*nkatm,0.0d0,0,coeff,1) | 1 ...... 1163 | > dcpl_mb(comp_coeff(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling paw_mult_interaction.F... Compiling paw_mult_energy.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_mult' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_mult' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a paw_mult.o paw_mult_interaction.o paw_mult_energy.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_mult' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_mult' Making all in paw_nonlocal make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_nonlocal' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_nonlocal' Compiling paw_nonlocal.F... paw_nonlocal.F:281:35: 241 | > dcpl_mb(paw_Gop_static(1)),1, | 2 ...... 281 | call ycopy(2*paw_nl_coeff(3),0.0d0,0, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_nonlocal' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_nonlocal' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a paw_nonlocal.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_nonlocal' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_nonlocal' Making all in paw_density make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_density' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_density' Compiling paw_density.F... paw_density.F:563:72: 563 | > paw_rho_ae(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:563:72: 563 | > paw_rho_ae(1,l2,ms)) | 1 Warning: Type mismatch in argument 'rho' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:568:72: 568 | > paw_rho_ps(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:568:72: 568 | > paw_rho_ps(1,l2,ms)) | 1 Warning: Type mismatch in argument 'rho' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:726:72: 726 | > paw_rho_ae_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:726:72: 726 | > paw_rho_ae_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'drho' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:733:72: 733 | > paw_rho_ps_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:733:72: 733 | > paw_rho_ps_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'drho' at (1); passed COMPLEX(8) to REAL(8) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_density' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_density' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a paw_density.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_density' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_density' Making all in paw_xc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_xc' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_xc' Compiling paw_xc.F... paw_xc.F:1315:72: 1315 | > rho_prime(1,1,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1315:72: 1315 | > rho_prime(1,1,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1328:72: 1328 | > rho_prime(1,2,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1328:72: 1328 | > rho_prime(1,2,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1335:72: 1335 | > rho_prime(1,3,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1335:72: 1335 | > rho_prime(1,3,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1275:72: 1275 | > rho(1,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1275:72: 1275 | > rho(1,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:484:41: 484 | call ycopy(2*paw_xc_pot(3),0.0d0,0,dcpl_mb(paw_xc_pot(1)),1) | 1 ...... 1307 | call ycopy(3*ic*ispin,0.0d0,0,rho_prime,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_xc.F:671:72: 671 | > dcpl_mb(paw_dvxc_ps(1))) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:671:72: 671 | > dcpl_mb(paw_dvxc_ps(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:671:72: 671 | > dcpl_mb(paw_dvxc_ps(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:686:72: 686 | > dcpl_mb(paw_vxc_ps(1))) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:686:72: 686 | > dcpl_mb(paw_vxc_ps(1))) | 1 Warning: Type mismatch in argument 'vxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:686:72: 686 | > dcpl_mb(paw_vxc_ps(1))) | 1 Warning: Type mismatch in argument 'vxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:741:72: 741 | > dcpl_mb(paw_xc_matr(1))) | 1 Warning: Type mismatch in argument 'vxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:741:72: 741 | > dcpl_mb(paw_xc_matr(1))) | 1 Warning: Type mismatch in argument 'vxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:741:72: 741 | > dcpl_mb(paw_xc_matr(1))) | 1 Warning: Type mismatch in argument 'tmpc' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:815:72: 815 | > dcpl_mb(paw_xc_dmatr(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:815:72: 815 | > dcpl_mb(paw_xc_dmatr(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:815:72: 815 | > dcpl_mb(paw_xc_dmatr(1))) | 1 Warning: Type mismatch in argument 'tmpc' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:858:44: 855 | > dcpl_mb(paw_xc_pot(1))) | 2 ...... 858 | call D3dB_Vector_Sumall(paw_xc_e(3),dbl_mb(paw_xc_e(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling paw_vosko.F... Compiling paw_dirac_x.F... Compiling paw_gga.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_xc' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_xc' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a paw_xc.o paw_vosko.o paw_dirac_x.o paw_gga.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_xc' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_xc' Making all in paw_force make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_force' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_force' Compiling paw_force.F... paw_force.F:215:30: 215 | > dcpl_mb(paw_force_cx_s(1))) | 1 ...... 906 | if (np.gt.1) call D3dB_Vector_SumAll(3*nion,dbl_mb(ft(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_force.F:260:34: 260 | call ycopy(tcount,0.0d0,0,dcpl_mb(paw_force_wx_u(1)),1) | 1 ...... 768 | call ycopy(3*nion,0.0d0,0,dbl_mb(ft(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_force' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_force' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a paw_force.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_force' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_force' Making all in paw_Grsm_list make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_Grsm_list' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_Grsm_list' Compiling paw_Grsm_list.F... Compiling paw_lmbfgs.F... paw_lmbfgs.F:80:32: 59 | call yscal(ngras,(-1.0d0),g,1) | 2 ...... 80 | call yscal(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_lmbfgs.F:82:39: 26 | call paw_Grsm_list_store(2*m-1,g) | 2 ...... 82 | call paw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_lmbfgs.F:96:25: 88 | > dbl_mb(ss(1)), | 2 ...... 96 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_lmbfgs.F:99:35: 79 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 99 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_lmbfgs.F:99:51: 79 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 99 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_Grsm_list' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_Grsm_list' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a paw_Grsm_list.o paw_lmbfgs.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_Grsm_list' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_Grsm_list' Making all in paw_psi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_psi' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_psi' Compiling paw_psi.F... paw_psi.F:167:22: 167 | call ycopy(8*nn,0.0d0,0,tmp,1) | 1 ...... 328 | call ycopy(n_max*n,A,1,fnm,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi.F:171:22: 171 | call ycopy(2*nn,0.0d0,0,lmbda,1) | 1 ...... 328 | call ycopy(n_max*n,A,1,fnm,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi.F:223:20: 223 | > psi1(1,n1(ms)),2*npack1, | 1 ...... 395 | > fnm,n_max, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_psi.F:226:20: 226 | > psi2(1,n1(ms)),2*npack1) | 1 ...... 398 | > tmp,n_max) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling paw_psi2.F... Compiling paw_psi_new.F... Compiling paw_psi_H.F... paw_psi2.F:2471:31: 722 | > rho, 1, | 2 ...... 2471 | call ycopy((ne(1)+ne(2)),0.0d0,0,dbl_mb(eig(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:2526:31: 722 | > rho, 1, | 2 ...... 2526 | call ycopy((ne(1)+ne(2)),0.0d0,0,dbl_mb(eig(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:2925:51: 2897 | call psi_write(ispin,ne,dcpl_mb(psi1(1)),-1,dum) | 2 ...... 2925 | call psi_write(ispin,ne,dcpl_mb(psi1(1)),-1,dum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:3009:32: 722 | > rho, 1, | 2 ...... 3009 | call ycopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi2_excited(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:3009:40: 723 | > dbl_mb(rho_ptr),1) | 2 ...... 3009 | call ycopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi2_excited(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_psi2.F:3010:32: 722 | > rho, 1, | 2 ...... 3010 | call ycopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi1_excited(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:3011:25: 722 | > rho, 1, | 2 ...... 3011 | call ycopy(2*nemax,0.0d0,0,dbl_mb(eig_excited(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:189:72: 189 | > dcpl_mb(t(1))) | ^ Warning: 'lmbda_r0' may be used uninitialized [-Wmaybe-uninitialized] paw_psi2.F:115:54: 115 | real*8 e0,eold,percent_error,error0,de0,lmbda_r0,lmbda_r1 | ^ note: 'lmbda_r0' was declared here Compiling paw_electron.F... Compiling paw_geodesic.F... paw_electron.F:1266:30: 431 | > dcpl_mb(tmp2(1))) | 2 ...... 1266 | > dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1588:28: 426 | > dng, | 2 ...... 1588 | > dbl_mb(dn_cmp_smooth(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1589:28: 427 | > dbl_mb(dn_cmp_smooth(1)), | 2 ...... 1589 | > dng, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1631:32: 1268 | call Pack_c_unpack(1, dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 1631 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1632:32: 1269 | call D3dB_cr_fft3b(1, dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 1632 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1633:35: 1270 | call D3dB_r_Zero_Ends(1,dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 1633 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1381:32: 1381 | call D3dB_r_SMul1(1,scal1,dbl_mb(tmp1(1))) | 1 ...... 1638 | call D3dB_r_SMul1(1,scal1,dcpl_mb(vh(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1382:27: 1382 | call D3dB_rc_fft3f(1,dbl_mb(tmp1(1))) | 1 ...... 1637 | call D3dB_rc_fft3f(1,dcpl_mb(vh(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1383:25: 1383 | call Pack_c_pack(0,dbl_mb(tmp1(1))) | 1 ...... 1639 | call Pack_c_pack(0,dcpl_mb(vh(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1384:25: 430 | > dcpl_mb(vcomp(1)), | 2 ...... 1384 | call Pack_c_Copy(0,dbl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:225:42: 225 | call ycopy(2*(npack1)*(ne(1)+ne(2)),psi1,1,psi2,1) | 1 ...... 1317 | call ycopy(2*n2ft3d,0.0d0,0,dn,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:225:49: 225 | call ycopy(2*(npack1)*(ne(1)+ne(2)),psi1,1,psi2,1) | 1 ...... 1317 | call ycopy(2*n2ft3d,0.0d0,0,dn,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1469:29: 1443 | > call D3dB_rr_Sum2(1,dbl_mb(v_field(1)), | 2 ...... 1469 | call D3dB_rr_Sum2(1,dcpl_mb(vc(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1511:44: 1317 | call ycopy(2*n2ft3d,0.0d0,0,dn,1) | 2 ...... 1511 | call ycopy(4*nfft3d,dbl_mb(vall(1)),1,vall_out,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_geodesic.F:315:20: 315 | > dbl_mb( Vt(1)+shift2),n, | 1 ...... 671 | > A,2*npack, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_geodesic.F:318:20: 318 | > dbl_mb(tmp2(1)+shift2),n) | 1 ...... 674 | > U,2*npack) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_psi' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_psi' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a paw_psi.o paw_psi2.o paw_psi_new.o paw_psi_H.o paw_electron.o paw_geodesic.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_psi' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_psi' Making all in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cpsd' Compiling paw_sd.F... paw_sd.F:903:40: 331 | call ycopy(20,0.0d0,0,E,1) | 2 ...... 903 | call ycopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling paw_cpmd.F... paw_cpmd.F:538:40: 306 | call ycopy(30,0.0d0,0,E,1) | 2 ...... 538 | call ycopy(2*(ne(1)+ne(2))*npack1,dcpl_mb(psi1(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_cpmd.F:539:40: 306 | call ycopy(30,0.0d0,0,E,1) | 2 ...... 539 | > dcpl_mb(psi0(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling paw_inner_loop.F... paw_inner_loop.F:327:32: 293 | call ycopy(2*npack1*nemax,psi2,1,psi1,1) | 2 ...... 327 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop.F:327:40: 293 | call ycopy(2*npack1*nemax,psi2,1,psi1,1) | 2 ...... 327 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop.F:345:44: 303 | call Pack_c_Copy(1,psi1(1,n),psi_r(1,n)) | 2 ...... 345 | call Pack_c_Copy(0,dcpl_mb(tmp1(1)),dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:392:28: 375 | > dn_cmp_smooth, | 2 ...... 392 | > dcpl_mb(vh(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:409:32: 304 | call Pack_c_unpack(1,psi_r(1,n)) | 2 ...... 409 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:410:32: 305 | call D3dB_cr_fft3b(1,psi_r(1,n)) | 2 ...... 410 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:411:35: 306 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) | 2 ...... 411 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:603:41: 491 | call paw_ovlp_S(n2(ispin),psi1,psi2) ! psi2 = S*psi1 | 2 ...... 603 | call paw_ovlp_S(n2(ispin),psi1,psi_r) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop.F:675:25: 376 | > dcpl_mb(dng(1)), | 2 ...... 675 | > dn_cmp_smooth, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling paw_inner_loop_md.F... paw_inner_loop_md.F:331:32: 288 | call ycopy(2*npack1*nemax,psi1,1,psi0,1) | 2 ...... 331 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop_md.F:331:40: 288 | call ycopy(2*npack1*nemax,psi1,1,psi0,1) | 2 ...... 331 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop_md.F:356:44: 307 | call Pack_c_Copy(1,psi1(1,n),psi_r(1,n)) | 2 ...... 356 | call Pack_c_Copy(0,dcpl_mb(tmp1(1)),dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:403:28: 386 | > dn_cmp_smooth, | 2 ...... 403 | > dcpl_mb(vh(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:420:32: 308 | call Pack_c_unpack(1,psi_r(1,n)) | 2 ...... 420 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:421:32: 309 | call D3dB_cr_fft3b(1,psi_r(1,n)) | 2 ...... 421 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:422:35: 310 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) | 2 ...... 422 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:722:23: 387 | > dcpl_mb(dng(1)), | 2 ...... 722 | > dn_cmp_smooth, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling psi_marat_write.F... Compiling paw_output.F... paw_cpmd.F:200:46: 200 | integer icount,it_in,it_out,icount_shift | ^ Warning: 'icount_shift' may be used uninitialized [-Wmaybe-uninitialized] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cpsd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a paw_sd.o paw_cpmd.o paw_inner_loop.o paw_inner_loop_md.o psi_marat_write.o paw_output.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cpsd' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cpsd' Making all in cgsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cgsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cgsd' Compiling paw_energy.F... Compiling paw_noit_energy.F... Compiling paw_gradient.F... Compiling paw_stress.F... Compiling paw_minimizer.F... paw_minimizer.F:500:25: 497 | value = btdb_put(rtdb,'paw:energy',mt_dbl,1,EV) | 2 ...... 500 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_minimizer.F:511:25: 497 | value = btdb_put(rtdb,'paw:energy',mt_dbl,1,EV) | 2 ...... 511 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling paw_cgsd_energy.F... Compiling paw_cgminimize.F... paw_minimizer.F:505:72: 505 | > 3*nion,dbl_mb(fion(1))) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] paw_minimizer.F:64:25: 64 | integer i,k,ia,nion,minimizer,mapping,lmax,mapping1d | ^ note: 'nion' was declared here Compiling paw_bfgsminimize.F... Compiling paw_nominimize.F... Compiling paw_sdminimize.F... Compiling paw_cgsd_noit_energy.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cgsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cgsd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a paw_energy.o paw_noit_energy.o paw_gradient.o paw_stress.o paw_minimizer.o paw_cgsd_energy.o paw_cgminimize.o paw_bfgsminimize.o paw_nominimize.o paw_sdminimize.o paw_cgsd_noit_energy.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cgsd' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cgsd' Making all in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cell_optimize' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cell_optimize' Compiling paw_stress_numerical.F... Compiling paw_stress_fd.F... paw_stress_fd.F:91:53: 79 | > mt_log,1,lstress_numerical)) | 2 ...... 91 | > btdb_get(rtdb,'nwpw:stress_alpha',mt_dbl,1,alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). paw_stress_fd.F:134:19: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 134 | call ycopy(9,unita,1,unita2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_stress_fd.F:183:19: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 183 | call ycopy(9,unita,1,unita3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_stress_fd.F:237:19: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 237 | call ycopy(9,ke_stress,1,stress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_stress_fd.F:263:25: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 263 | call ycopy(6,lattice,1,lattice2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_stress_fd.F:308:25: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 308 | call ycopy(6,lattice,1,lattice3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_stress_fd.F:362:22: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 362 | call ycopy(6,ke_lstress,1,lstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling paw_cell_optimize.F... paw_cell_optimize.F:42:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 42 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_cell_optimize.F:46:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 46 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling paw_update_unitcell.F... paw_update_unitcell.F:31:72: 31 | call load_cellgeometry(geom,dbl_mb(r1(1)),unita) | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] paw_update_unitcell.F:15:19: 15 | integer r1(2),nion,nionplus3 | ^ note: 'r1' declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cell_optimize' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cell_optimize' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a paw_stress_numerical.o paw_stress_fd.o paw_cell_optimize.o paw_update_unitcell.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cell_optimize' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cell_optimize' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a task_paw.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpaw.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw' Making all in band make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band' Compiling band_input.F... band_input.F:282:54: 279 | > mulliken) | 2 ...... 282 | value = rtdb_put(rtdb,'band:fake_mass',mt_dbl,1,fake_mass) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band' Making all in minimizer make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/minimizer' Compiling task_band.F... make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/minimizer' Compiling band_energy.F... band_energy.F:69:51: 40 | if (.not.rtdb_get(rtdb,'nwpw:rho_use_symmetry',mt_log,1,use_sym)) | 2 ...... 69 | if (rtdb_get(rtdb,'band:wcut',mt_dbl,1,wcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). band_energy.F:86:58: 59 | > mt_log,1,.false.)) | 2 ...... 86 | value = rtdb_put(rtdb,'band:wcut',mt_dbl,1,wcut) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling band_noit_energy.F... Compiling band_gradient.F... Compiling band_stress.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band' Compiling band_minimizer.F... band_minimizer.F:648:25: 645 | value = btdb_put(rtdb,'band:energy',mt_dbl,1,EV) | 2 ...... 648 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_minimizer.F:658:25: 645 | value = btdb_put(rtdb,'band:energy',mt_dbl,1,EV) | 2 ...... 658 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) band_minimizer.F:661:25: 645 | value = btdb_put(rtdb,'band:energy',mt_dbl,1,EV) | 2 ...... 661 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling c_cgsd_energy.F... Compiling c_cgsd_noit_energy.F... band_minimizer.F:652:72: 652 | > 3*nion,dbl_mb(fion(1))) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] band_minimizer.F:61:25: 61 | integer i,k,ia,nion,vers,nbrillioun,nb,ms | ^ note: 'nion' was declared here Compiling c_cgsd_energy_gradient.F... Compiling c_cgsd_energy_stress.F... c_cgsd_energy_stress.F:64:19: 38 | call ycopy(9,0.0d0,0,stress,1) | 2 ...... 64 | call ycopy(9,tstress,1,xcstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling c_cgsd_excited.F... Compiling c_cgminimize.F... Compiling c_cgminimize2.F... Compiling c_cgminimizeABC.F... Compiling c_bfgsminimize.F... Compiling c_bfgsminimizeABC.F... Compiling c_bybminimize0.F... Compiling c_bybminimize.F... Compiling c_bybminimize2.F... c_bybminimize2.F:318:20: 283 | > dbl_mb(rho_in(1)),1, | 2 ...... 318 | > dcpl_mb(rho_out(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_bybminimize2.F:319:20: 284 | > dbl_mb(rho_junk(1)),1) | 2 ...... 319 | > dcpl_mb(rho_junk(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling c_sdminimize.F... Compiling c_nominimize.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/minimizer' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/minimizer' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a band_minimizer.o c_cgsd_energy.o c_cgsd_noit_energy.o c_cgsd_energy_gradient.o c_cgsd_energy_stress.o c_cgsd_excited.o c_cgminimize.o c_cgminimize2.o c_cgminimizeABC.o c_bfgsminimize.o c_bfgsminimizeABC.o c_bybminimize0.o c_bybminimize.o c_bybminimize2.o c_sdminimize.o c_nominimize.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/minimizer' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/minimizer' Making all in structure make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/structure' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/structure' Compiling band_structure.F... band_structure.F:693:38: 567 | > isize,dbl_mb(eigs_dos(1)))) then | 2 ...... 693 | > mt_int,1,norbs_dos)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling band_interpolate_structure.F... Compiling band_kp_structure.F... band_interpolate_structure.F:264:72: 264 | dist = dist + (kv(3)-kold(3))**2 | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] band_interpolate_structure.F:22:33: 22 | real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV | ^ note: 'kold[2]' was declared here band_interpolate_structure.F:263:72: 263 | dist = dist + (kv(2)-kold(2))**2 | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] band_interpolate_structure.F:22:33: 22 | real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV | ^ note: 'kold[1]' was declared here band_interpolate_structure.F:262:72: 262 | dist = (kv(1)-kold(1))**2 | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] band_interpolate_structure.F:22:33: 22 | real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here Compiling band_fft_structure.F... band_kp_structure.F:192:72: 192 | dist = dist + (kv(3)-kold(3))**2 | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] band_kp_structure.F:23:33: 23 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[2]' was declared here band_kp_structure.F:191:72: 191 | dist = dist + (kv(2)-kold(2))**2 | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] band_kp_structure.F:23:33: 23 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[1]' was declared here band_kp_structure.F:190:72: 190 | dist = (kv(1)-kold(1))**2 | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] band_kp_structure.F:23:33: 23 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here band_structure.F:745:72: 745 | dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] band_structure.F:60:37: 60 | real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut | ^ note: 'kold[1]' was declared here band_structure.F:745:72: 745 | dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] band_structure.F:60:37: 60 | real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut | ^ note: 'kold[0]' was declared here band_structure.F:745:72: 745 | dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] band_structure.F:60:37: 60 | real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut | ^ note: 'kold[2]' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/structure' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/structure' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a band_structure.o band_interpolate_structure.o band_kp_structure.o band_fft_structure.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/structure' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/structure' Making all in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/cpsd' Compiling band_sd.F... Compiling band_cpmd.F... band_sd.F:922:72: 922 | write(luout,1457) E(20),E(20)/n2(ispin) | ^ Warning: 'n2' may be used uninitialized [-Wmaybe-uninitialized] band_sd.F:43:31: 43 | integer ne(2),n1(2),n2(2),nemax,neq(2),nemaxq,neall | ^ note: 'n2' declared here band_sd.F:932:72: 932 | write(luout,1502) E(21),E(21)/n2(ispin) | ^ Warning: 'n2' may be used uninitialized [-Wmaybe-uninitialized] band_sd.F:43:31: 43 | integer ne(2),n1(2),n2(2),nemax,neq(2),nemaxq,neall | ^ note: 'n2' declared here Compiling band_inner_loop.F... band_inner_loop.F:389:72: 389 | > dte) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop.F:389:72: 389 | > dte) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop.F:389:72: 389 | > dte) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) Compiling band_inner_loop_md.F... band_inner_loop_md.F:311:35: 154 | call ycopy(2*nfft3d,0.0d0,0,dbl_mb(xcp(1)),1) | 2 ...... 311 | call ycopy(ispin*nfft3d,dn,1,dbl_mb(dnall(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:609:36: 609 | call Cram_c_SMul1(nb,-h,dbl_mb(psi0_shift)) | 1 ...... 757 | call Cram_c_SMul1(nb,2.0d0*sse,psi2(1,n)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_inner_loop_md.F:611:31: 611 | > dbl_mb(psi2_shift), | 1 ...... 807 | call Cram_cc_daxpy(nb,dt,psi0(1,n),psi2(1,n)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_inner_loop_md.F:612:31: 612 | > dbl_mb(psi0_shift)) | 1 ...... 807 | call Cram_cc_daxpy(nb,dt,psi0(1,n),psi2(1,n)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_cpmd.F:89:46: 89 | integer icount,it_in,it_out,icount_shift | ^ Warning: 'icount_shift' may be used uninitialized [-Wmaybe-uninitialized] band_cpmd.F:1061:72: 1061 | call print_elapsed_time(icount*it_in*dt) | ^ Warning: 'dt' may be used uninitialized [-Wmaybe-uninitialized] band_cpmd.F:85:22: 85 | real*8 EV,pi,dt,a,b,c,alpha,beta,gamma | ^ note: 'dt' was declared here band_inner_loop_md.F:516:17: 516 | if (np.gt.1) call Parallel_SumAll(eke) | ^ Warning: 'np' may be used uninitialized [-Wmaybe-uninitialized] band_inner_loop_md.F:41:38: 41 | integer n2ft3d,np_i,np_j,np_k,np,nbq,nemaxq | ^ note: 'np' declared here band_inner_loop_md.F:535:18: 535 | if (np.gt.1) call Parallel_SumAll(eke) | ^ Warning: 'np' may be used uninitialized [-Wmaybe-uninitialized] band_inner_loop_md.F:41:38: 41 | integer n2ft3d,np_i,np_j,np_k,np,nbq,nemaxq | ^ note: 'np' declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/cpsd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a band_sd.o band_cpmd.o band_inner_loop.o band_inner_loop_md.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/cpsd' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/cpsd' Making all in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/cell_optimize' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/cell_optimize' Compiling band_stress_numerical.F... Compiling band_stress_fd.F... Compiling band_cell_optimize.F... band_cell_optimize.F:42:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 42 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_cell_optimize.F:46:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 46 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling band_update_unitcell.F... band_update_unitcell.F:31:72: 31 | call load_cellgeometry(geom,dbl_mb(r1(1)),unita) | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] band_update_unitcell.F:15:19: 15 | integer r1(2),nion,nionplus3 | ^ note: 'r1' declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/cell_optimize' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/cell_optimize' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a band_stress_numerical.o band_stress_fd.o band_cell_optimize.o band_update_unitcell.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/cell_optimize' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/cell_optimize' Making all in kbpp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/kbpp' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/kbpp' Compiling cpsp_formatter_auto.F... Compiling borbs_formatter.F... Compiling kbpp_band.F... kbpp_band.F:113:27: 112 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) | 2 113 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). kbpp_band.F:368:23: 366 | call iwrite(2,psp_type,1) | 2 367 | call iwrite(2,version,1) 368 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band.F:371:23: 369 | call dwrite(2,unita,9) | 2 370 | call cwrite(2,atom,2) 371 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_band.F:372:23: 369 | call dwrite(2,unita,9) | 2 ...... 372 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_band.F:388:23: 369 | call dwrite(2,unita,9) | 2 ...... 388 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbpp_band_orb.F... kbpp_band_orb.F:104:48: 97 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 104 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band_orb.F:240:23: 239 | call iwrite(2,version,1) | 2 240 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band_orb.F:245:23: 241 | call dwrite(2,unita,9) | 2 ...... 245 | call dwrite(2,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_band_orb.F:246:23: 241 | call dwrite(2,unita,9) | 2 ...... 246 | call dwrite(2,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling setup_kbpp_band.f... Compiling integrate_kbpp_band_local.F... Compiling integrate_kbpp_band_nonlocal.F... Compiling integrate_kbpp_band_orb.F... Compiling kbpp_band_ray.F... Compiling integrate_kbpp_band_ray.F... Compiling integrate_kbpp_band_local_new.F... Compiling integrate_kbpp_band_nonlocal_new.F... Compiling cpsp_stress_formatter_auto.F... Compiling kbpp_band_stress.F... kbpp_band_stress.F:106:27: 104 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 105 | call BRDCST(9+MSGDBL,amass,mdtob(msglen),MASTER) 106 | call BRDCST(9+MSGINT,lmax0,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). kbpp_band_stress.F:110:27: 104 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 ...... 110 | call BRDCST(9+MSGDBL,rc,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band_stress.F:316:23: 315 | call iwrite(2,version,1) | 2 316 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbpp_band_stress_local.F... Compiling integrate_kbpp_band_stress_nonlocal.F... Compiling integrate_kbpp_band_stress_ray.F... Compiling integrate_kbpp_band_stress_local_new.F... Compiling integrate_kbpp_band_stress_nonlocal_new.F... Compiling HGH_band_local.F... Compiling HGH_band_nonlocal.F... Compiling Tesseral_band.F... Compiling Spherical_band.F... Compiling hghpp_band.F... hghpp_band.F:123:27: 118 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) | 2 ...... 123 | call BRDCST(9+MSGDBL,rloc,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hghpp_band.F:374:23: 372 | call iwrite(2,psp_type,1) | 2 373 | call iwrite(2,version,1) 374 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hghpp_band.F:377:23: 375 | call dwrite(2,unita,9) | 2 376 | call cwrite(2,atom,2) 377 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghpp_band.F:378:23: 375 | call dwrite(2,unita,9) | 2 ...... 378 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghpp_band.F:395:23: 375 | call dwrite(2,unita,9) | 2 ...... 395 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghpp_band.F:472:25: 375 | call dwrite(2,unita,9) | 2 ...... 472 | call dwrite(2,dcpl_mb(vnlso_indx),2*nsize*nprj) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling rkbpp_band.F... rkbpp_band.F:581:32: 581 | call ycopy(ngsize,0.0d0,0,vl,1) | 1 ...... 697 | call ycopy(nprj*ngx*ngy*ngz*4,0.0d0,0,vnl,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). rkbpp_band.F:625:43: 625 | call Parallel_Vector_SumAll(4*ngsize,rho_sc_k) | 1 ...... 773 | call Parallel_Vector_SumAll(ngx*ngy*ngz*4*nprj,vnl) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). rkbpp_band.F:108:27: 107 | call BRDCST(9+MSGINT,pspx,mitob(msglen),MASTER) | 2 108 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). rkbpp_band.F:341:22: 339 | call iwrite(2,psp_type,1) | 2 340 | call iwrite(2,version,1) 341 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rkbpp_band.F:344:22: 342 | call dwrite(2,unita,9) | 2 343 | call cwrite(2,atom,2) 344 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:345:22: 342 | call dwrite(2,unita,9) | 2 ...... 345 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:359:22: 342 | call dwrite(2,unita,9) | 2 ...... 359 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:363:22: 342 | call dwrite(2,unita,9) | 2 ...... 363 | call dwrite(2,dcpl_mb(vnl_indx),nsize*nprj_out*4) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling kbpp_e_band.F... rkbpp_band.F:854:72: 854 | return | ^ Warning: '__result_sjx' may be used uninitialized [-Wmaybe-uninitialized] rkbpp_band.F:791:25: 791 | real*8 function sjx(x,l,cosx,sinx) | ^ note: '__result_sjx' was declared here kbpp_e_band.F:125:48: 118 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 125 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band.F:126:49: 120 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 126 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band.F:386:23: 384 | call iwrite(2,psp_type,1) | 2 385 | call iwrite(2,version,1) 386 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band.F:389:23: 387 | call dwrite(2,unita,9) | 2 388 | call cwrite(2,atom,2) 389 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_e_band.F:390:23: 387 | call dwrite(2,unita,9) | 2 ...... 390 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_e_band.F:405:23: 387 | call dwrite(2,unita,9) | 2 ...... 405 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:761:72: 761 | f(k)=a*vv*rho(k) | ^ Warning: '__result_sjx' may be used uninitialized [-Wmaybe-uninitialized] rkbpp_band.F:791:25: 791 | real*8 function sjx(x,l,cosx,sinx) | ^ note: '__result_sjx' was declared here Compiling integrate_kbpp_e_band_nonlocal.F... Compiling integrate_kbpp_e_band_nonlocal_new.F... Compiling integrate_kbpp_e_band_local.F... Compiling integrate_kbpp_e_band_local_new.F... Compiling integrate_kbpp_e_band_ray.F... Compiling kbpp_e_band_stress.F... kbpp_e_band_stress.F:117:48: 109 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 117 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band_stress.F:118:49: 111 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 118 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band_stress.F:336:23: 335 | call iwrite(2,version,1) | 2 336 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbpp_e_band_stress_local.F... Compiling integrate_kbpp_e_band_stress_local_new.F... Compiling integrate_kbpp_e_band_stress_ray.F... Compiling integrate_kbpp_e_band_stress_nonlocal.F... Compiling integrate_kbpp_e_band_stress_nonlocal_new.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/kbpp' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/kbpp' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a cpsp_formatter_auto.o borbs_formatter.o kbpp_band.o kbpp_band_orb.o setup_kbpp_band.o integrate_kbpp_band_local.o integrate_kbpp_band_nonlocal.o integrate_kbpp_band_orb.o kbpp_band_ray.o integrate_kbpp_band_ray.o integrate_kbpp_band_local_new.o integrate_kbpp_band_nonlocal_new.o cpsp_stress_formatter_auto.o kbpp_band_stress.o integrate_kbpp_band_stress_local.o integrate_kbpp_band_stress_nonlocal.o integrate_kbpp_band_stress_ray.o integrate_kbpp_band_stress_local_new.o integrate_kbpp_band_stress_nonlocal_new.o HGH_band_local.o HGH_band_nonlocal.o Tesseral_band.o Spherical_band.o hghpp_band.o rkbpp_band.o kbpp_e_band.o integrate_kbpp_e_band_nonlocal.o integrate_kbpp_e_band_nonlocal_new.o integrate_kbpp_e_band_local.o integrate_kbpp_e_band_local_new.o integrate_kbpp_e_band_ray.o kbpp_e_band_stress.o integrate_kbpp_e_band_stress_local.o integrate_kbpp_e_band_stress_local_new.o integrate_kbpp_e_band_stress_ray.o integrate_kbpp_e_band_stress_nonlocal.o integrate_kbpp_e_band_stress_nonlocal_new.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/kbpp' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/kbpp' Making all in makepsi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/makepsi' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/makepsi' Compiling c_wvfnc_new.F... c_wvfnc_new.F:188:20: 187 | call iwrite(6,version,1) | 2 188 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_new.F:197:20: 187 | call iwrite(6,version,1) | 2 ...... 197 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_new.F:219:24: 189 | call dwrite(6,unita,9) | 2 ...... 219 | call dwrite(6,dcpl_mb(cfull_indx),2*nfft3d) !** should be writing zeros ** | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_new.F:305:30: 189 | call dwrite(6,unita,9) | 2 ...... 305 | call dwrite(6,rz,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) c_wvfnc_new.F:307:30: 189 | call dwrite(6,unita,9) | 2 ...... 307 | call dwrite(6,rx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) c_wvfnc_new.F:309:30: 189 | call dwrite(6,unita,9) | 2 ...... 309 | call dwrite(6,ry,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling c_wvfnc_expander.F... c_wvfnc_expander.F:58:19: 57 | call iread(5,version,1) | 2 58 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:66:19: 57 | call iread(5,version,1) | 2 ...... 66 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:79:20: 78 | call iwrite(6,version,1) | 2 79 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:82:20: 78 | call iwrite(6,version,1) | 2 ...... 82 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:111:23: 59 | call dread(5,unita,9) | 2 ...... 111 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_expander.F:118:24: 80 | call dwrite(6,unita,9) | 2 ...... 118 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_expander.F:127:23: 59 | call dread(5,unita,9) | 2 ...... 127 | call dread(5,rx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) c_wvfnc_expander.F:128:24: 80 | call dwrite(6,unita,9) | 2 ...... 128 | call dwrite(6,rx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling c_wvfnc_adjust.F... c_wvfnc_adjust.F:169:19: 168 | call iread(5,version,1) | 2 169 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:172:19: 168 | call iread(5,version,1) | 2 ...... 172 | call iread(5,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:179:20: 178 | call iwrite(6,version,1) | 2 179 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:182:20: 178 | call iwrite(6,version,1) | 2 ...... 182 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:227:22: 168 | call iread(5,version,1) | 2 ...... 227 | call iread(3,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:230:22: 168 | call iread(5,version,1) | 2 ...... 230 | call iread(3,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:248:28: 170 | call dread(5,unita,9) | 2 ...... 248 | call dread(5,dcpl_mb(cfull_indx),2*nfft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_adjust.F:310:26: 180 | call dwrite(6,unita,9) | 2 ...... 310 | call dwrite(6,dcpl_mb(cfull_indx),2*nfft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_adjust.F:463:19: 168 | call iread(5,version,1) | 2 ...... 463 | call iread(4,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:466:19: 168 | call iread(5,version,1) | 2 ...... 466 | call iread(4,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:419:19: 168 | call iread(5,version,1) | 2 ...... 419 | call iread(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:422:19: 168 | call iread(5,version,1) | 2 ...... 422 | call iread(2,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling c_v_wvfnc_new.F... c_v_wvfnc_new.F:56:20: 55 | call iwrite(6,version,1) | 2 56 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_v_wvfnc_new.F:64:20: 55 | call iwrite(6,version,1) | 2 ...... 64 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_v_wvfnc_new.F:74:24: 57 | call dwrite(6,unita,9) | 2 ...... 74 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_reformat_c_wvfnc.F... pspw_reformat_c_wvfnc.F:53:19: 52 | call iread(5,version,1) | 2 53 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:56:19: 52 | call iread(5,version,1) | 2 ...... 56 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:70:20: 69 | call iwrite(6,version,1) | 2 70 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:73:20: 69 | call iwrite(6,version,1) | 2 ...... 73 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:121:24: 54 | call dread(5,unita,9) | 2 ...... 121 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_reformat_c_wvfnc.F:125:24: 71 | call dwrite(6,unita,9) | 2 ...... 125 | call dwrite(6,dcpl_mb(cfull_out(1)),2*nfft3d_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_reformat_c_wvfnc.F:200:19: 52 | call iread(5,version,1) | 2 ...... 200 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:203:19: 52 | call iread(5,version,1) | 2 ...... 203 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:217:20: 69 | call iwrite(6,version,1) | 2 ...... 217 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:220:20: 69 | call iwrite(6,version,1) | 2 ...... 220 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:348:19: 52 | call iread(5,version,1) | 2 ...... 348 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:351:19: 52 | call iread(5,version,1) | 2 ...... 351 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:365:20: 69 | call iwrite(6,version,1) | 2 ...... 365 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:368:20: 69 | call iwrite(6,version,1) | 2 ...... 368 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/makepsi' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/makepsi' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a c_wvfnc_new.o c_wvfnc_expander.o c_wvfnc_adjust.o c_v_wvfnc_new.o pspw_reformat_c_wvfnc.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/makepsi' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/makepsi' Making all in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib' Making all in cpsp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/cpsp' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/cpsp' Compiling cpsp.F... Compiling cpsp_relativistic.F... cpsp.F:1954:22: 1952 | call iread(5,psp_type,1) | 2 1953 | call iread(5,version,1) 1954 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1957:22: 1955 | call dread(5,unita,9) | 2 1956 | call cread(5,atom,2) 1957 | call dread(5,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:1958:22: 1955 | call dread(5,unita,9) | 2 ...... 1958 | call dread(5,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:1967:24: 1952 | call iread(5,psp_type,1) | 2 ...... 1967 | call iread(5,n_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1968:24: 1952 | call iread(5,psp_type,1) | 2 ...... 1968 | call iread(5,l_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1969:24: 1952 | call iread(5,psp_type,1) | 2 ...... 1969 | call iread(5,m_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1982:22: 1955 | call dread(5,unita,9) | 2 ...... 1982 | call dread(5,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:2022:49: 2011 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 2022 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:2034:48: 2024 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 2034 | call Parallel_Brdcst_values(MASTER,msglen,amass) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:2036:48: 2024 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 2036 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:2048:49: 2011 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 2048 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:2049:49: 2011 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 2049 | call Parallel_Brdcst_ivalues(MASTER,msglen,l_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:2050:49: 2011 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 2050 | call Parallel_Brdcst_ivalues(MASTER,msglen,m_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:2061:48: 2024 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 2061 | call Parallel_Brdcst_values(MASTER,msglen,rcore) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:113:37: 113 | call ycopy(npsp*npack0,0.0d0,0,dbl_mb(vl(1)),1) | 1 ...... 1390 | call ycopy(2*nn*nprj,0.0d0,0,zsw2,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp.F:857:48: 771 | call C3dB_Vector_Sumall((3*ne(1)),dbl_mb(sum(1))) | 2 ...... 857 | call C3dB_Vector_SumAll((2*nn*nproj),dcpl_mb(zsw1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp.F:964:32: 964 | call yaxpy(3*nion,1.0d0,dbl_mb(ftmp(1)),1,fion,1) | 1 ...... 1402 | call yaxpy(2*nn,G(nb,na,la),zsw1(1,a),1,zsw2(1,b),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp.F:964:50: 964 | call yaxpy(3*nion,1.0d0,dbl_mb(ftmp(1)),1,fion,1) | 1 ...... 1402 | call yaxpy(2*nn,G(nb,na,la),zsw1(1,a),1,zsw2(1,b),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp.F:1566:23: 884 | > dbl_mb(psi2_shift), npack1) | 2 ...... 1566 | > orb2, npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp_relativistic.F:542:22: 335 | > orb2, npack1) | 2 ...... 542 | > dbl_mb(psi2_shift), npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp_relativistic.F:584:48: 294 | call C3dB_Vector_SumAll((2*nproj),dcpl_mb(zsw1u(1))) | 2 ...... 584 | call C3dB_Vector_Sumall(3*(nn),dbl_mb(sum(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp_relativistic.F:1168:34: 512 | > dbl_mb(psi1_shift), | 2 ...... 1168 | > psi1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp_relativistic.F:1394:15: 556 | > dbl_mb(psi_shift), | 2 ...... 1394 | > psi(pshftu), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling cpsp_projector.F... Compiling cpsp_stress.F... cpsp_relativistic.F:570:72: 570 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:383:25: 383 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp_relativistic.F:571:72: 571 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:383:25: 383 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp_relativistic.F:572:72: 572 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:383:25: 383 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here cpsp_stress.F:587:22: 586 | call iread(5,version,1) | 2 587 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp_stress.F:615:49: 605 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 615 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp_relativistic.F:837:72: 837 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:650:25: 650 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp_relativistic.F:838:72: 838 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:650:25: 650 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp_relativistic.F:839:72: 839 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:650:25: 650 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here cpsp.F:734:72: 734 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:639:25: 639 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp.F:735:72: 735 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:639:25: 639 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp.F:736:72: 736 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:639:25: 639 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here cpsp.F:643:31: 643 | integer occ_tag,occ_shift,occ1_shift | ^ Warning: 'occ_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:774:72: 774 | if (occ_tag.gt.0) occ_shift = occ1_shift | ^ Warning: 'occ1_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:643:42: 643 | integer occ_tag,occ_shift,occ1_shift | ^ note: 'occ1_shift' was declared here Compiling c_semicore.F... c_semicore.F:459:32: 436 | call ycopy(nfft3d,dbl_mb(c_G_indx(u)),1,dcpl_mb(Gu),1) | 2 ...... 459 | call ycopy(nfft3d,0.0d0,0,Aus,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp_stress.F:249:56: 249 | integer nproj,l_prj,psi1_shift,occ1_tag,occ1_shift,occ_shift | ^ Warning: 'occ1_shift' may be used uninitialized [-Wmaybe-uninitialized] Compiling c_semicore_force.F... cpsp.F:1104:72: 1104 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1009:25: 1009 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp.F:1105:72: 1105 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1009:25: 1009 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp.F:1106:72: 1106 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1009:25: 1009 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here cpsp.F:1013:31: 1013 | integer occ_tag,occ_shift,occ1_shift | ^ Warning: 'occ_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1144:72: 1144 | if (occ_tag.gt.0) occ_shift = occ1_shift | ^ Warning: 'occ1_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1013:42: 1013 | integer occ_tag,occ_shift,occ1_shift | ^ note: 'occ1_shift' was declared here cpsp.F:1609:33: 1609 | integer occ1_tag,occ1_shift,occ_shift | ^ Warning: 'occ1_shift' may be used uninitialized [-Wmaybe-uninitialized] make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/cpsp' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/cpsp' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/cpsp' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/cpsp' Making all in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/ke' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/ke' Compiling cke.F... cke.F:236:23: 161 | > dbl_mb(shift1),dbl_mb(shift2)) | 2 ...... 236 | > orb1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cke.F:237:23: 161 | > dbl_mb(shift1),dbl_mb(shift2)) | 2 ...... 237 | > orb2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cke.F:559:72: 559 | if (.not. value) call errquit('out of stack memory',0) | 1 Warning: Missing actual argument for argument '_formal_11' at (1) cke.F:566:30: 460 | call Cram_cc_dot(nbq,dbl_mb(psi_shift), | 2 ...... 566 | call Cram_cc_dot(nbq,psi(1,n),psi(1,n),x) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cke.F:594:72: 594 | if (.not. value) call errquit('error popping stack memory',0) | 1 Warning: Missing actual argument for argument '_formal_11' at (1) make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/ke' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/ke' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a cke.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/ke' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/ke' Making all in coulomb make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/coulomb' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/coulomb' Compiling c_coulomb.F... Compiling c_coulomb_screened.F... c_coulomb_screened.F:190:32: 165 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 ...... 190 | call ycopy(nfft3d,0.0d0,0,dbl_mb(glr(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). c_coulomb_screened.F:577:24: 165 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 ...... 577 | call ycopy(n2ft3d,dcpl_mb(gk(1)), 1,dbl_mb(gr(1)), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_coulomb_screened.F:609:27: 259 | call C3dB_rc_fft3f(1,dcpl_mb(gk(1))) | 2 ...... 609 | call C3dB_rc_fft3f(1,dbl_mb(gr(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/coulomb' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/coulomb' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a c_coulomb.o c_coulomb_screened.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/coulomb' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/coulomb' Making all in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/electron' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/electron' Compiling c_electron.F... Compiling cpsi_H.F... c_electron.F:1893:25: 1765 | call Cram_c_Copy(nb,dbl_mb(shiftk),dbl_mb(shiftr)) | 2 ...... 1893 | call Cram_c_Copy(0,dcpl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:1893:42: 1765 | call Cram_c_Copy(nb,dbl_mb(shiftk),dbl_mb(shiftr)) | 2 ...... 1893 | call Cram_c_Copy(0,dcpl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:1902:35: 1874 | call C3dB_r_SMul1(1,scal2,dn) | 2 ...... 1902 | call C3dB_r_SMul1(1,0.5d0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:320:28: 320 | call Cram_c_unpack(nb,dcpl_mb(tmp_r(1))) | 1 ...... 1767 | call Cram_c_unpack(nb, dbl_mb(shiftr)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:321:31: 321 | call C3dB_cr_pfft3b(1,nb,dcpl_mb(tmp_r(1))) | 1 ...... 1769 | call C3dB_cr_pfft3b(1,nb,dbl_mb(shiftr)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:328:20: 328 | > orb, | 1 ...... 1538 | > dbl_mb(psik_shift), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:329:20: 329 | > dcpl_mb(tmp_r(1)), | 1 ...... 1539 | > dbl_mb(psir_shift), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:330:20: 330 | > Horb) | 1 ...... 1540 | > dbl_mb(hpsi_shift)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:331:36: 331 | call Cram_c_SMul1(nb,(-1.0d0),Horb) | 1 ...... 1545 | call Cram_c_SMul1(nb,(-1.0d0),dbl_mb(hpsi_shift)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:377:72: 377 | > dte) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:377:72: 377 | > dte) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:377:72: 377 | > dte) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:1352:72: 1352 | call print_hml_tmp(ne(1),dbl_mb(hml_shift)) | 1 Warning: Type mismatch in argument 'a' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:2111:26: 1829 | call ycopy(ispin*nfft3d,0.0d0,0,dn,1) | 2 ...... 2111 | call ycopy(4*nfft3d,dcpl_mb(vall(1)),1,vall_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:2111:45: 1829 | call ycopy(ispin*nfft3d,0.0d0,0,dn,1) | 2 ...... 2111 | call ycopy(4*nfft3d,dcpl_mb(vall(1)),1,vall_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_H.F:173:31: 173 | > dbl_mb(Hpsi_shift)) | 1 ...... 454 | > Horb_k) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_H.F:326:29: 148 | > call C3dB_bb_Sum2(1,dbl_mb(Hpsir_shift),dcpl_mb(vpsi(1))) | 2 ...... 326 | > call C3dB_bb_Sum2(1,dcpl_mb(Horb_r(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_H.F:553:31: 437 | > orb_r, | 2 ...... 553 | > dbl_mb(psi_shift), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_H.F:154:72: 154 | if (dohfx) Hpsir_shift = Hpsir_shift + nshift1 | ^ Warning: 'hpsir_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsi_H.F:33:46: 33 | integer psi_shift,Hpsi_shift,Hpsir_shift,nshift1,nshift2 | ^ note: 'hpsir_shift' was declared here make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/electron' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/electron' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a c_electron.o cpsi_H.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/electron' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/electron' Making all in psi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/psi' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/psi' Compiling cpsi.F... Compiling c_geodesic.F... c_geodesic.F:928:25: 402 | > dbl_mb(ynewshift)) | 2 ...... 928 | > Ynew(1+(nb-1)*nbshift)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_geodesic.F:1018:25: 805 | > dbl_mb(tGshift),npack1, | 2 ...... 1018 | > tG(1+(nb-1)*nbshift),npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_geodesic.F:1507:30: 392 | > dbl_mb(vtshift), | 2 ...... 1507 | > dcpl_mb(Bdag), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_geodesic.F:1523:30: 1421 | > dbl_mb(cpsi_data_get_allptr(Vt_tag)), | 2 ...... 1523 | > dcpl_mb(tmp2(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling c_geodesic2.F... c_geodesic.F:1668:72: 1668 | denergy = denergy + denergyB | ^ Warning: 'denergy' is used uninitialized [-Wuninitialized] c_geodesic.F:1594:21: 1594 | real*8 denergy,denergyB,denergyA,denergyC,denergyBdag | ^ note: 'denergy' was declared here cpsi.F:1431:72: 1431 | call c_electron_run00(nb,psi2_tag) | 1 Warning: More actual than formal arguments in procedure call at (1) cpsi.F:4070:33: 203 | > dbl_mb(rho1(1)),1) | 2 ...... 4070 | call ycopy(2*isize,0.0d0,0,H,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi.F:4247:45: 4155 | call K1dB_Vector_SumAll(2*isize,H) | 2 ...... 4247 | call K1dB_Vector_SumAll(ne(1)+ne(2),dbl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi.F:4325:50: 3204 | > mt_log,1,psi_nogrid)) | 2 ...... 4325 | if (.not.btdb_get(rtdb,'dos:alpha',mt_dbl,1,alpha)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling cpsi_lmbda.F... Compiling cpsi_lmbda2.F... cpsi_lmbda2.F:79:72: 79 | call cpsi_gen_UD(ms,nb,tmp(Bs),tmp(D)) | 1 Warning: Type mismatch in argument 'd' at (1); passed COMPLEX(8) to REAL(8) cpsi_lmbda2.F:85:72: 85 | > failed) | 1 Warning: Type mismatch in argument 'd' at (1); passed COMPLEX(8) to REAL(8) Compiling cpsi_KS.F... Compiling BGrsm.F... cpsi_KS.F:3326:33: 3324 | > dcpl_mb(r1(1))) | 2 3325 | call Cram_c_Copy(nb,dbl_mb(psi1_shift+(j-1)*nshift), 3326 | > dbl_mb(psi1_shift+(i-1)*nshift)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:3327:33: 3323 | call Cram_c_Copy(nb,dbl_mb(psi1_shift+(i-1)*nshift), | 2 ...... 3327 | call Cram_c_Copy(nb,dcpl_mb(r1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_KS.F:3049:29: 2743 | call Cram_cc_dot(nb,dcpl_mb(g(1)),dcpl_mb(g(1)),sum) | 2 ...... 3049 | call Cram_cc_dot(nb,dbl_mb(psi_ptr), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:3084:31: 3066 | call Cram_cc_daxpy(nb,e0,dbl_mb(psi_ptr),dcpl_mb(r1(1))) | 2 ...... 3084 | > dcpl_mb(t0(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_KS.F:3241:25: 3066 | call Cram_cc_daxpy(nb,e0,dbl_mb(psi_ptr),dcpl_mb(r1(1))) | 2 ...... 3241 | > dbl_mb(psi_ptr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:1728:72: 1728 | > dbl_mb(psi_ptr)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:1733:20: 1733 | > dbl_mb(psi_ptr), | 1 ...... 2743 | call Cram_cc_dot(nb,dcpl_mb(g(1)),dcpl_mb(g(1)),sum) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:1748:36: 1748 | call Cram_c_SMul1(nb,sum,dbl_mb(psi_ptr)) | 1 ...... 2745 | call Cram_c_SMul1(nb,sum,dcpl_mb(g(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:1622:72: 1622 | > dbl_mb(psi1_shift+(i-1)*nshift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:1202:24: 1202 | > tau_t) | 1 ...... 3238 | > dbl_mb(psi_ptr)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_KS.F:542:72: 542 | > call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:618:72: 618 | > call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:707:72: 707 | call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:2679:72: 2679 | call cpsi_project_out_virtual1(nb,ii,dbl_mb(epsi_ptr)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:2700:72: 2700 | call cpsi_corrector_orb(nb,dbl_mb(epsi_ptr)) | 1 Warning: Type mismatch in argument 'orb' at (1); passed REAL(8) to COMPLEX(8) BGrsm.F:113:34: 83 | call ycopy(nsize,0.0d0,0,A,1) | 2 ...... 113 | call ycopy(nsize,0.0d0,0,dbl_mb(a_shift),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). BGrsm.F:138:23: 83 | call ycopy(nsize,0.0d0,0,A,1) | 2 ...... 138 | call ycopy(nsize,A,1,C,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling cpsi_spin2.F... Compiling c_check.F... Compiling cpsi_read.F... cpsi_read.F:102:22: 101 | call iread(5,version,1) | 2 102 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:105:22: 101 | call iread(5,version,1) | 2 ...... 105 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:115:56: 113 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 114 | msglen = 3 115 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:121:56: 113 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 121 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:272:48: 209 | call cpsi_data_add(psi2_tag,nbq,q,dcpl_mb(tmp2(1))) | 2 ...... 272 | call cpsi_data_add(l,nbq,n,dbl_mb(tmpe(1)+n-1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_read.F:403:22: 101 | call iread(5,version,1) | 2 ...... 403 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:406:22: 101 | call iread(5,version,1) | 2 ...... 406 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:415:56: 113 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 415 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:421:56: 113 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 421 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:649:22: 101 | call iread(5,version,1) | 2 ...... 649 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:652:22: 101 | call iread(5,version,1) | 2 ...... 652 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:662:49: 660 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 661 | msglen = 3 662 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:668:49: 660 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 668 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cpsi_write.F... cpsi_write.F:108:26: 107 | call iwrite(6,version,1) | 2 108 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:117:26: 107 | call iwrite(6,version,1) | 2 ...... 117 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:310:26: 107 | call iwrite(6,version,1) | 2 ...... 310 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:319:26: 107 | call iwrite(6,version,1) | 2 ...... 319 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:449:23: 107 | call iwrite(6,version,1) | 2 ...... 449 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:458:23: 107 | call iwrite(6,version,1) | 2 ...... 458 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:462:24: 107 | call iwrite(6,version,1) | 2 ...... 462 | call iwrite(37,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:465:24: 107 | call iwrite(6,version,1) | 2 ...... 465 | call iwrite(37,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:589:23: 107 | call iwrite(6,version,1) | 2 ...... 589 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:598:23: 107 | call iwrite(6,version,1) | 2 ...... 598 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling crho_read.F... crho_read.F:87:25: 86 | call iread(5,version,1) | 2 87 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) crho_read.F:110:56: 101 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 110 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling crho_write.F... crho_write.F:90:26: 89 | call iwrite(6,version,1) | 2 90 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cpsi_new.F... Compiling v_cpsi_new.F... Compiling v_cpsi_read.F... v_cpsi_read.F:90:22: 89 | call iread(5,version,1) | 2 90 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:93:22: 89 | call iread(5,version,1) | 2 ...... 93 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:103:49: 101 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 102 | msglen = 3 103 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:109:49: 101 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 109 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:203:50: 185 | call cpsi_data_add(psi0_tag,nbq,q,dcpl_mb(tmp2(1))) | 2 ...... 203 | call cpsi_data_add(l,nbq,n,dbl_mb(tmpe(1)+n-1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling v_cpsi_write.F... v_cpsi_write.F:92:23: 91 | call iwrite(6,version,1) | 2 92 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_write.F:101:23: 91 | call iwrite(6,version,1) | 2 ...... 101 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling c_rho_symmetrizer.F... Compiling cpsi_printeigall.F... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/psi' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/psi' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a cpsi.o c_geodesic.o c_geodesic2.o cpsi_lmbda.o cpsi_lmbda2.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o crho_read.o crho_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o c_rho_symmetrizer.o cpsi_printeigall.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/psi' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/psi' Making all in hfx make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/hfx' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/hfx' Compiling band_hfx.F... band_hfx.F:53:37: 41 | if (.not.btdb_get(rtdb,'band:HFX',mt_log,1,hfx_on)) | 2 ...... 53 | > mt_dbl,1,rcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). band_hfx.F:357:72: 357 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:357:72: 357 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'hpsi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:469:72: 469 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:469:72: 469 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:469:72: 469 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:498:72: 498 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:498:72: 498 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'hpsi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:588:37: 309 | call ycopy(4*nbrillq_max,0.0d0,0,dbl_mb(kw_rep1(1)),1) | 2 ...... 588 | call ycopy(2*nfft3d,0.0d0,0,Horb_r,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_hfx.F:599:72: 599 | > orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/hfx' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/hfx' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a band_hfx.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/hfx' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/hfx' Making all in Grsm_list make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/Grsm_list' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/Grsm_list' Compiling band_Grsm_list.F... Compiling band_lmbfgs.F... band_lmbfgs.F:86:32: 30 | call yscal(ngras,(-1.0d0),g,1) | 2 ...... 86 | call yscal(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_lmbfgs.F:88:40: 31 | call band_Grsm_list_store(2*m-1,g) | 2 ...... 88 | call band_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_lmbfgs.F:100:25: 95 | > dbl_mb(ss(1)),npack1, | 2 ...... 100 | > s,npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_lmbfgs.F:103:35: 85 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 103 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_lmbfgs.F:103:51: 85 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 103 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/Grsm_list' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/Grsm_list' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a band_Grsm_list.o band_lmbfgs.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/Grsm_list' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/Grsm_list' Making all in borbs make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/borbs' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/borbs' Compiling borbs.F... borbs.F:447:22: 446 | call iread(5,version,1) | 2 447 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) borbs.F:452:22: 448 | call dread(5,unita,9) | 2 ...... 452 | call dread(5,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:453:22: 448 | call dread(5,unita,9) | 2 ...... 453 | call dread(5,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:494:49: 483 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 494 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) borbs.F:501:49: 483 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 501 | call Parallel_Brdcst_ivalues(MASTER,msglen,iatom) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) borbs.F:509:48: 496 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 509 | call Parallel_Brdcst_values(MASTER,msglen,rcut) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:510:48: 496 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 510 | call Parallel_Brdcst_values(MASTER,msglen,lmbda) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:612:72: 612 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) Compiling borb_projector.F... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/borbs' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/borbs' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a borbs.o borb_projector.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/borbs' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/borbs' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib' Making all in dplot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/dplot' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/dplot' Compiling band_dplot_input.F... band_dplot_input.F:304:42: 82 | value = rtdb_put(rtdb,'band_dplot:count',mt_int,1,count) | 2 ...... 304 | > mt_dbl,3,o) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling band_dplot.F... band_dplot.F:661:49: 626 | call K1dB_Vector_SumAll(nfft3d,dbl_mb(rho(1))) | 2 ...... 661 | call K1dB_Vector_SumAll(2*nfft3d,dcpl_mb(orb(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_dplot.F:1018:30: 433 | if (btdb_get(rtdb,'band_dplot:3d_grid:nx',mt_int,1,i)) | 2 ...... 1018 | > mt_dbl,1,position_tolerance)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). band_dplot.F:895:30: 895 | call ycopy(ispin*nfft3d,0.0d0,0,dn,1) | 1 ...... 1765 | call ycopy(2*nfft3d,orb,1,dcpl_mb(tmp2(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_dplot.F:895:38: 895 | call ycopy(ispin*nfft3d,0.0d0,0,dn,1) | 1 ...... 1765 | call ycopy(2*nfft3d,orb,1,dcpl_mb(tmp2(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_dplot.F:928:36: 928 | call yscal(ispin*nfft3d,scal2,dn,1) | 1 ...... 1766 | call yscal(2*nfft3d,scal1,dcpl_mb(tmp2(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling band_dplot_iteration.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/dplot' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/dplot' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a band_dplot_input.o band_dplot.o band_dplot_iteration.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/dplot' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/dplot' Making all in analysis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/analysis' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/analysis' Making all in APC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/analysis/APC' Compiling band_analysis.F... make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/analysis/APC' band_analysis.F:161:40: 138 | if (.not. btdb_get(rtdb,id,mt_int,1,int_mb(lorb(1)+k-1))) then | 2 ...... 161 | > dbl_mb(b0(1)+(k-1)*6))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). band_analysis.F:312:44: 310 | call ycopy(nemax,0.0d0,0,dbl_mb(eig(1)),1) | 2 311 | call ycopy(nemax,0.0d0,0,dbl_mb(sum(1)),1) 312 | call ycopy(2*36*nion*nemax,0.0d0,0,dcpl_mb(a(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_analysis.F:333:49: 331 | call K1dB_Vector_SumAll(nemax,dbl_mb(eig(1))) | 2 332 | call K1dB_Vector_SumAll(nemax,dbl_mb(sum(1))) 333 | call K1dB_Vector_SumAll(2*36*nion*nemax,dcpl_mb(a(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling orb_pop_borb.F... band_analysis.F:341:63: 341 | WRITE(luout,1510) N,SPN(SPIN),dbl_mb(sum_shift+N-1), | ^ Warning: 'sum_shift' may be used uninitialized [-Wmaybe-uninitialized] band_analysis.F:52:31: 52 | integer A_shift,sum_shift,psi_shift,eig_shift | ^ note: 'sum_shift' was declared here Compiling band_APC.F... band_APC.F:55:52: 51 | if (.not.btdb_get(rtdb,'nwpw:APC',mt_log,1,doapc)) | 2 ...... 55 | value = btdb_get(rtdb,'nwpw_APC:nga',mt_int,1,nga) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling band_atom_Efield.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/analysis' make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/analysis/APC' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/analysis/APC' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a band_APC.o band_atom_Efield.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/analysis/APC' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/analysis/APC' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/analysis' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a band_analysis.o orb_pop_borb.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/analysis' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/analysis' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a band_input.o task_band.o band_energy.o band_noit_energy.o band_gradient.o band_stress.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libband.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band' Making all in ofpw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw' Making all in minimizer make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/minimizer' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/minimizer' Compiling ofpw_energy.F... Compiling task_ofpw.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw' Compiling ofpw_minimizer.F... ofpw_minimizer.F:503:25: 500 | value = btdb_put(rtdb,'ofpw:energy',mt_dbl,1,EV) | 2 ...... 503 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ofpw_minimizer.F:514:25: 500 | value = btdb_put(rtdb,'ofpw:energy',mt_dbl,1,EV) | 2 ...... 514 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) ofpw_minimizer.F:517:25: 500 | value = btdb_put(rtdb,'ofpw:energy',mt_dbl,1,EV) | 2 ...... 517 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ofpw_cgsd_energy.F... ofpw_minimizer.F:508:72: 508 | > 3*nion,dbl_mb(fion(1))) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] ofpw_minimizer.F:63:25: 63 | integer i,k,ia,nion,minimizer,mapping,mapping1d | ^ note: 'nion' was declared here ofpw_cgsd_energy.F:156:34: 156 | if ((deltae.lt.tole).and. | ^ Warning: 'deltac' may be used uninitialized [-Wmaybe-uninitialized] ofpw_cgsd_energy.F:29:37: 29 | real*8 tole,tolc,deltae,deltac,deltae_old | ^ note: 'deltac' declared here Compiling ofpw_cgminimize.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/minimizer' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/minimizer' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libofpw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libofpw.a ofpw_minimizer.o ofpw_cgsd_energy.o ofpw_cgminimize.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libofpw.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libofpw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libofpw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/minimizer' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/minimizer' Making all in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/cpsd' Compiling ofpwsd.F... Compiling inner_loop_ofpw.F... inner_loop_ofpw.F:160:32: 141 | call ycopy(2*npack0,0.0d0,0,dcpl_mb(vl(1)),1) | 2 ...... 160 | call ycopy(n2ft3d,0.0d0,0,dbl_mb(v_wgc(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). inner_loop_ofpw.F:196:34: 141 | call ycopy(2*npack0,0.0d0,0,dcpl_mb(vl(1)),1) | 2 ...... 196 | call ycopy(2*npack1*ispin,psi2,1,psi1,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_ofpw.F:238:44: 211 | call Pack_c_Copy(1,psi1(1,n),psi_r(1,n)) | 2 ...... 238 | call Pack_c_Copy(0,dcpl_mb(tmp1(1)),dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_ofpw.F:249:36: 234 | call D3dB_r_SMul(1,scal1,dbl_mb(rho(1)),dcpl_mb(tmp1(1))) | 2 ...... 249 | call D3dB_r_SMul(1,0.5d0,dcpl_mb(tmp1(1)),dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_ofpw.F:255:27: 233 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 255 | > dcpl_mb(tmp1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling chi_lmbda.f... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/cpsd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libofpw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libofpw.a ofpwsd.o inner_loop_ofpw.o chi_lmbda.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libofpw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libofpw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/cpsd' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/cpsd' Making all in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib' Making all in chi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/chi' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/chi' Compiling chi_read.F... chi_read.F:73:22: 72 | call iread(5,version,1) | 2 73 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_read.F:76:22: 72 | call iread(5,version,1) | 2 ...... 76 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_read.F:84:49: 82 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 83 | msglen = 3 84 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_read.F:90:49: 82 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 90 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling chi_write.F... chi_write.F:86:23: 85 | call iwrite(6,version,1) | 2 86 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_write.F:89:23: 85 | call iwrite(6,version,1) | 2 ...... 89 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling chi_new.F... Compiling chi_expander.F... chi_expander.F:60:19: 59 | call iread(5,version,1) | 2 60 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:63:19: 59 | call iread(5,version,1) | 2 ...... 63 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:72:20: 71 | call iwrite(6,version,1) | 2 72 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:75:20: 71 | call iwrite(6,version,1) | 2 ...... 75 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:100:23: 61 | call dread(5,unita,9) | 2 ...... 100 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). chi_expander.F:106:24: 73 | call dwrite(6,unita,9) | 2 ...... 106 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/chi' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/chi' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libofpw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libofpw.a chi_read.o chi_write.o chi_new.o chi_expander.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libofpw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libofpw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/chi' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/chi' Making all in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/electron' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/electron' Compiling chi_H.F... Compiling chi_Hv4.F... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/electron' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/electron' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libofpw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libofpw.a chi_H.o chi_Hv4.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libofpw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libofpw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/electron' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/electron' Making all in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/ke' Compiling v_thomasfermi.F... make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/ke' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libofpw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libofpw.a v_thomasfermi.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libofpw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libofpw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/ke' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/ke' Making all in WGC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/WGC' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/WGC' Compiling wgc.F... wgc.F:345:51: 230 | call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dbl_mb(rho1(1))) | 2 ...... 345 | call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:346:33: 231 | call D3dB_r_notZero_Ends(1,dbl_mb(rho1(1))) | 2 ...... 346 | call D3dB_r_notZero_Ends(1,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:347:37: 232 | call D3dB_r_Power1(1,wgc_tune1,dbl_mb(rho1(1))) | 2 ...... 347 | call D3dB_r_Power1(1,wgc_tune1,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:348:30: 233 | call D3dB_r_Zero_Ends(1,dbl_mb(rho1(1))) | 2 ...... 348 | call D3dB_r_Zero_Ends(1,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:350:30: 235 | call D3dB_rc_pfft3f(1,0,dbl_mb(rho1(1))) | 2 ...... 350 | call D3dB_rc_pfft3f(1,0,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:351:25: 236 | call Pack_c_pack(0,dbl_mb(rho1(1))) | 2 ...... 351 | call Pack_c_pack(0,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/WGC' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/WGC' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libofpw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libofpw.a wgc.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libofpw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libofpw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/WGC' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/WGC' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libofpw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libofpw.a ofpw_energy.o task_ofpw.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libofpw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libofpw.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpw.a nwpw_input.o nwpw_default.o nwpw_vectors_input.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpw.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpw.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpw.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw' Making libraries in fft make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft' Making all in pfft1.0 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfft1.0' Making all in fftpack make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfft1.0/fftpack' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfft1.0/fftpack' Compiling dcfftb.F... Compiling scfftb.F... Compiling dcfftf.F... Compiling scfftf.F... Compiling dcffti.F... Compiling scffti.F... Compiling dcftb1.F... Compiling scftb1.F... Compiling dcftf1.F... Compiling scftf1.F... Compiling dcfti1.F... dcfti1.F:19:72: 19 | if (j.gt.4) ntry = ntry + 2 | ^ Warning: 'ntry' may be used uninitialized [-Wmaybe-uninitialized] dcfti1.F:18:22: 18 | if (j.le.4) ntry = ntryh(j) | ^ note: 'ntry' was declared here Compiling scfti1.F... scfti1.F:14:72: 14 | 103 ntry = ntry+2 | ^ Warning: 'ntry' may be used uninitialized [-Wmaybe-uninitialized] scfti1.F:12:10: 12 | 102 ntry = ntryh(j) | ^ note: 'ntry' was declared here Compiling dpssb.F... Compiling spssb.F... Compiling dpssb2.F... dpssb2.F:25:41: 20 | do 103 i=2,ido,2 | 2 ...... 25 | ch(i,k,2) = wa1(i-1)*ti2+wa1(i)*tr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb2.F:26:43: 20 | do 103 i=2,ido,2 | 2 ...... 26 | ch(i-1,k,2) = wa1(i-1)*tr2-wa1(i)*ti2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssb2.F... Compiling dpssb3.F... dpssb3.F:46:41: 33 | do 103 i=2,ido,2 | 2 ...... 46 | ch(i,k,2) = wa1(i-1)*di2+wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:47:43: 33 | do 103 i=2,ido,2 | 2 ...... 47 | ch(i-1,k,2) = wa1(i-1)*dr2-wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:48:41: 33 | do 103 i=2,ido,2 | 2 ...... 48 | ch(i,k,3) = wa2(i-1)*di3+wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:49:43: 33 | do 103 i=2,ido,2 | 2 ...... 49 | ch(i-1,k,3) = wa2(i-1)*dr3-wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssb3.F... Compiling dpssb4.F... dpssb4.F:51:43: 34 | do 103 i=2,ido,2 | 2 ...... 51 | ch(i-1,k,2) = wa1(i-1)*cr2-wa1(i)*ci2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:52:41: 34 | do 103 i=2,ido,2 | 2 ...... 52 | ch(i,k,2) = wa1(i-1)*ci2+wa1(i)*cr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:53:43: 34 | do 103 i=2,ido,2 | 2 ...... 53 | ch(i-1,k,3) = wa2(i-1)*cr3-wa2(i)*ci3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:54:41: 34 | do 103 i=2,ido,2 | 2 ...... 54 | ch(i,k,3) = wa2(i-1)*ci3+wa2(i)*cr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:55:43: 34 | do 103 i=2,ido,2 | 2 ...... 55 | ch(i-1,k,4) = wa3(i-1)*cr4-wa3(i)*ci4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:56:41: 34 | do 103 i=2,ido,2 | 2 ...... 56 | ch(i,k,4) = wa3(i-1)*ci4+wa3(i)*cr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssb4.F... Compiling dpssb5.F... dpssb5.F:81:43: 54 | do 103 i=2,ido,2 | 2 ...... 81 | ch(i-1,k,2) = wa1(i-1)*dr2-wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:82:41: 54 | do 103 i=2,ido,2 | 2 ...... 82 | ch(i,k,2) = wa1(i-1)*di2+wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:83:43: 54 | do 103 i=2,ido,2 | 2 ...... 83 | ch(i-1,k,3) = wa2(i-1)*dr3-wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:84:41: 54 | do 103 i=2,ido,2 | 2 ...... 84 | ch(i,k,3) = wa2(i-1)*di3+wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:85:43: 54 | do 103 i=2,ido,2 | 2 ...... 85 | ch(i-1,k,4) = wa3(i-1)*dr4-wa3(i)*di4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:86:41: 54 | do 103 i=2,ido,2 | 2 ...... 86 | ch(i,k,4) = wa3(i-1)*di4+wa3(i)*dr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:87:43: 54 | do 103 i=2,ido,2 | 2 ...... 87 | ch(i-1,k,5) = wa4(i-1)*dr5-wa4(i)*di5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:88:41: 54 | do 103 i=2,ido,2 | 2 ...... 88 | ch(i,k,5) = wa4(i-1)*di5+wa4(i)*dr5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssb5.F... Compiling dpssf.F... Compiling spssf.F... Compiling dpssf2.F... dpssf2.F:25:41: 20 | do 103 i=2,ido,2 | 2 ...... 25 | ch(i,k,2) = wa1(i-1)*ti2-wa1(i)*tr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf2.F:26:43: 20 | do 103 i=2,ido,2 | 2 ...... 26 | ch(i-1,k,2) = wa1(i-1)*tr2+wa1(i)*ti2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssf2.F... Compiling dpssf3.F... dpssf3.F:44:41: 31 | do 103 i=2,ido,2 | 2 ...... 44 | ch(i,k,2) = wa1(i-1)*di2-wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:45:43: 31 | do 103 i=2,ido,2 | 2 ...... 45 | ch(i-1,k,2) = wa1(i-1)*dr2+wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:46:41: 31 | do 103 i=2,ido,2 | 2 ...... 46 | ch(i,k,3) = wa2(i-1)*di3-wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:47:43: 31 | do 103 i=2,ido,2 | 2 ...... 47 | ch(i-1,k,3) = wa2(i-1)*dr3+wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssf3.F... Compiling dpssf4.F... dpssf4.F:51:43: 34 | do 103 i=2,ido,2 | 2 ...... 51 | ch(i-1,k,2) = wa1(i-1)*cr2+wa1(i)*ci2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:52:41: 34 | do 103 i=2,ido,2 | 2 ...... 52 | ch(i,k,2) = wa1(i-1)*ci2-wa1(i)*cr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:53:43: 34 | do 103 i=2,ido,2 | 2 ...... 53 | ch(i-1,k,3) = wa2(i-1)*cr3+wa2(i)*ci3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:54:41: 34 | do 103 i=2,ido,2 | 2 ...... 54 | ch(i,k,3) = wa2(i-1)*ci3-wa2(i)*cr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:55:43: 34 | do 103 i=2,ido,2 | 2 ...... 55 | ch(i-1,k,4) = wa3(i-1)*cr4+wa3(i)*ci4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:56:41: 34 | do 103 i=2,ido,2 | 2 ...... 56 | ch(i,k,4) = wa3(i-1)*ci4-wa3(i)*cr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssf4.F... Compiling dpssf5.F... dpssf5.F:76:43: 49 | do 103 i=2,ido,2 | 2 ...... 76 | ch(i-1,k,2) = wa1(i-1)*dr2+wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:77:41: 49 | do 103 i=2,ido,2 | 2 ...... 77 | ch(i,k,2) = wa1(i-1)*di2-wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:78:43: 49 | do 103 i=2,ido,2 | 2 ...... 78 | ch(i-1,k,3) = wa2(i-1)*dr3+wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:79:41: 49 | do 103 i=2,ido,2 | 2 ...... 79 | ch(i,k,3) = wa2(i-1)*di3-wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:80:43: 49 | do 103 i=2,ido,2 | 2 ...... 80 | ch(i-1,k,4) = wa3(i-1)*dr4+wa3(i)*di4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:81:41: 49 | do 103 i=2,ido,2 | 2 ...... 81 | ch(i,k,4) = wa3(i-1)*di4-wa3(i)*dr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:82:43: 49 | do 103 i=2,ido,2 | 2 ...... 82 | ch(i-1,k,5) = wa4(i-1)*dr5+wa4(i)*di5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:83:41: 49 | do 103 i=2,ido,2 | 2 ...... 83 | ch(i,k,5) = wa4(i-1)*di5-wa4(i)*dr5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssf5.F... Compiling drfftb.F... Compiling srfftb.F... Compiling drfftf.F... Compiling srfftf.F... Compiling drffti.F... Compiling srffti.F... Compiling drftb1.F... Compiling srftb1.F... Compiling drftf1.F... Compiling srftf1.F... Compiling drfti1.F... Compiling srfti1.F... srfti1.F:16:72: 16 | 103 ntry = ntry+2 | ^ Warning: 'ntry' may be used uninitialized [-Wmaybe-uninitialized] srfti1.F:14:10: 14 | 102 ntry = ntryh(j) | ^ note: 'ntry' was declared here Compiling dradb2.F... dradb2.F:33:44: 28 | do i = 1, (ido - 1)/2 | 2 ...... 33 | ch(i*2,k,2) = wa1(i*2-1)*tr2 - wa1(i*2)*ti2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb2.F:34:46: 28 | do i = 1, (ido - 1)/2 | 2 ...... 34 | ch(1+i*2,k,2) = wa1(i*2-1)*ti2 + wa1(i*2)*tr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradb2.F... Compiling dradb3.F... dradb3.F:46:44: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 46 | ch(i*2,k,2) = wa1(i*2-1)*dr2 - wa1(i*2)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:47:46: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 47 | ch(1+i*2,k,2) = wa1(i*2-1)*di2 + wa1(i*2)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:48:44: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 48 | ch(i*2,k,3) = wa2(i*2-1)*dr3 - wa2(i*2)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:49:46: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 49 | ch(1+i*2,k,3) = wa2(i*2-1)*di3 + wa2(i*2)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradb3.F... Compiling dradb4.F... dradb4.F:54:44: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 54 | ch(i*2,k,2) = wa1(i*2-1)*cr2 - wa1(i*2)*ci2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:55:46: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 55 | ch(1+i*2,k,2) = wa1(i*2-1)*ci2 + wa1(i*2)*cr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:56:44: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 56 | ch(i*2,k,3) = wa2(i*2-1)*cr3 - wa2(i*2)*ci3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:57:46: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 57 | ch(1+i*2,k,3) = wa2(i*2-1)*ci3 + wa2(i*2)*cr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:58:44: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 58 | ch(i*2,k,4) = wa3(i*2-1)*cr4 - wa3(i*2)*ci4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:59:46: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 59 | ch(1+i*2,k,4) = wa3(i*2-1)*ci4 + wa3(i*2)*cr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradb4.F... Compiling dradb5.F... dradb5.F:71:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 71 | ch(i*2,k,2) = wa1(i*2-1)*dr2 - wa1(i*2)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:72:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 72 | ch(1+i*2,k,2) = wa1(i*2-1)*di2 + wa1(i*2)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:73:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 73 | ch(i*2,k,3) = wa2(i*2-1)*dr3 - wa2(i*2)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:74:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 74 | ch(1+i*2,k,3) = wa2(i*2-1)*di3 + wa2(i*2)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:75:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 75 | ch(i*2,k,4) = wa3(i*2-1)*dr4 - wa3(i*2)*di4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:76:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 76 | ch(1+i*2,k,4) = wa3(i*2-1)*di4 + wa3(i*2)*dr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:77:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 77 | ch(i*2,k,5) = wa4(i*2-1)*dr5 - wa4(i*2)*di5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:78:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 78 | ch(1+i*2,k,5) = wa4(i*2-1)*di5 + wa4(i*2)*dr5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradb5.F... Compiling dradbg.F... Compiling sradbg.F... Compiling dradf2.F... dradf2.F:29:44: 28 | do i = 1, ((ido - 1)/2) | 2 29 | tr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf2.F:30:46: 28 | do i = 1, ((ido - 1)/2) | 2 29 | tr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 30 | ti2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradf2.F... Compiling dradf3.F... dradf3.F:32:44: 31 | do i = 1, ((ido - 1)/2) | 2 32 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:33:46: 31 | do i = 1, ((ido - 1)/2) | 2 32 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 33 | di2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:34:44: 31 | do i = 1, ((ido - 1)/2) | 2 ...... 34 | dr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:35:46: 31 | do i = 1, ((ido - 1)/2) | 2 ...... 35 | di3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradf3.F... Compiling dradf4.F... dradf4.F:36:44: 35 | do i = 1, ((ido - 1)/2) | 2 36 | cr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:37:46: 35 | do i = 1, ((ido - 1)/2) | 2 36 | cr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 37 | ci2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:38:44: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 38 | cr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:39:46: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 39 | ci3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:40:44: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 40 | cr4 = wa3(i*2-1)*cc(i*2,k,4) + wa3(i*2)*cc(1+i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:41:46: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 41 | ci4 = wa3(i*2-1)*cc(1+i*2,k,4) - wa3(i*2)*cc(i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradf4.F... Compiling dradf5.F... dradf5.F:41:44: 40 | do i = 1, ((ido - 1)/2) | 2 41 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:42:46: 40 | do i = 1, ((ido - 1)/2) | 2 41 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 42 | di2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:43:44: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 43 | dr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:44:46: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 44 | di3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:45:44: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 45 | dr4 = wa3(i*2-1)*cc(i*2,k,4) + wa3(i*2)*cc(1+i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:46:46: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 46 | di4 = wa3(i*2-1)*cc(1+i*2,k,4) - wa3(i*2)*cc(i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:47:44: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 47 | dr5 = wa4(i*2-1)*cc(i*2,k,5) + wa4(i*2)*cc(1+i*2,k,5) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:48:46: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 48 | di5 = wa4(i*2-1)*cc(1+i*2,k,5) - wa4(i*2)*cc(i*2,k,5) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradf5.F... Compiling dradfg.F... Compiling sradfg.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfft1.0/fftpack' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfft1.0/fftpack' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpfft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpfft.a dcfftb.o scfftb.o dcfftf.o scfftf.o dcffti.o scffti.o dcftb1.o scftb1.o dcftf1.o scftf1.o dcfti1.o scfti1.o dpssb.o spssb.o dpssb2.o spssb2.o dpssb3.o spssb3.o dpssb4.o spssb4.o dpssb5.o spssb5.o dpssf.o spssf.o dpssf2.o spssf2.o dpssf3.o spssf3.o dpssf4.o spssf4.o dpssf5.o spssf5.o drfftb.o srfftb.o drfftf.o srfftf.o drffti.o srffti.o drftb1.o srftb1.o drftf1.o srftf1.o drfti1.o srfti1.o dradb2.o sradb2.o dradb3.o sradb3.o dradb4.o sradb4.o dradb5.o sradb5.o dradbg.o sradbg.o dradf2.o sradf2.o dradf3.o sradf3.o dradf4.o sradf4.o dradf5.o sradf5.o dradfg.o sradfg.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpfft.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpfft.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpfft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfft1.0/fftpack' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfft1.0/fftpack' Making all in pfft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfft1.0/pfft' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfft1.0/pfft' Compiling blktrn.F... Compiling drain.F... Compiling fillup.F... Compiling mapfil.F... Compiling mapchk.F... Compiling prlst2.F... Compiling xstop.F... Compiling pairup.F... Compiling gexit.F... Compiling igdiff.F... Compiling lstcnt.F... Compiling lstind.F... Compiling pfft.F... Compiling pfft3d.F... Compiling prfft3.F... Compiling prfft.F... Compiling prffti.F... Compiling chk3d.F... Compiling mfftc1.F... Compiling mfftr1.F... Compiling mcfftr.F... Compiling mrfftr.F... Compiling pfft1i.F... Compiling pfft1.F... Compiling wrkspc2.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfft1.0/pfft' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfft1.0/pfft' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpfft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpfft.a blktrn.o drain.o fillup.o mapfil.o mapchk.o prlst2.o xstop.o pairup.o gexit.o igdiff.o lstcnt.o lstind.o pfft.o pfft3d.o prfft3.o prfft.o prffti.o chk3d.o mfftc1.o mfftr1.o mcfftr.o mrfftr.o pfft1i.o pfft1.o wrkspc2.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpfft.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpfft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfft1.0/pfft' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfft1.0/pfft' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfft1.0' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfft1.0' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfft1.0' Making all in pfftwrap make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfftwrap' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfftwrap' Compiling nwfft3d.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfftwrap' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfftwrap' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpfft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpfft.a nwfft3d.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpfft.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libpfft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfftwrap' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfftwrap' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft' Making libraries in python make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/python' Compiling python_input.F... Compiling task_python.c... task_python.c: In function 'task_python_': task_python.c:43:4: warning: 'Py_SetProgramName' is deprecated [-Wdeprecated-declarations] 43 | Py_SetProgramName(nwprogram); | ^~~~~~~~~~~~~~~~~ In file included from /usr/include/python3.11/Python.h:94, from task_python.c:1: /usr/include/python3.11/pylifecycle.h:37:38: note: declared here 37 | Py_DEPRECATED(3.11) PyAPI_FUNC(void) Py_SetProgramName(const wchar_t *); | ^~~~~~~~~~~~~~~~~ Compiling nwchem_wrap.c... nwchem_wrap.c:1800:18: warning: 'error_out' defined but not used [-Wunused-function] 1800 | static PyObject* error_out(PyObject *m) { | ^~~~~~~~~ Compiling nw_inp_from_string.c... nw_inp_from_string.c: In function 'nw_inp_from_string': nw_inp_from_string.c:33:10: warning: unused variable 'fstring' [-Wunused-variable] 33 | char fstring[255]; | ^~~~~~~ make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/python' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpython.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpython.a python_input.o task_python.o nwchem_wrap.o nw_inp_from_string.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpython.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpython.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwpython.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/python' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/python' Making libraries in analyz make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/analyz' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/analyz' Compiling ana_angle.F... Compiling ana_atrad.F... Compiling ana_bond.F... Compiling ana_chgdst.F... Compiling ana_data.F... Compiling ana_define.F... ana_define.F:90:29: 89 | call ga_brdcst(mag_d06,ndef,ma_sizeof(mt_int,1,mt_byte),0) | 2 90 | call ga_brdcst(mag_d06,ldef,ndef*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ana_define.F:160:29: 89 | call ga_brdcst(mag_d06,ndef,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 160 | call ga_brdcst(mag_d06,ldef,ndef*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ana_diel.F... Compiling ana_esppt.F... Compiling ana_finish.F... Compiling ana_groups.F... Compiling ana_hbond.F... Compiling ana_index.F... Compiling ana_init.F... Compiling ana_inirms.F... ana_groups.F:432:72: 432 | xa(2)=xa(2)+x(ia,2) | ^ Warning: 'xa[1]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:18: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xa[1]' was declared here ana_groups.F:431:72: 431 | xa(1)=xa(1)+x(ia,1) | ^ Warning: 'xa[0]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:18: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xa[0]' was declared here ana_groups.F:433:72: 433 | xa(3)=xa(3)+x(ia,3) | ^ Warning: 'xa[2]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:18: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xa[2]' was declared here ana_groups.F:442:72: 442 | xb(1)=xb(1)+x(ia,1) | ^ Warning: 'xb[0]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:24: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xb[0]' was declared here ana_groups.F:444:72: 444 | xb(3)=xb(3)+x(ia,3) | ^ Warning: 'xb[2]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:24: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xb[2]' was declared here ana_groups.F:443:72: 443 | xb(2)=xb(2)+x(ia,2) | ^ Warning: 'xb[1]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:24: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xb[1]' was declared here Compiling ana_initx.F... Compiling ana_input.F... Compiling ana_pltgrd.F... ana_pltgrd.F:159:29: 157 | call ga_brdcst(mag_d01,x,3*nsa*ma_sizeof(mt_dbl,1,mt_byte),0) | 2 158 | call ga_brdcst(mag_d02,xmin,3*ma_sizeof(mt_dbl,1,mt_byte),0) 159 | call ga_brdcst(mag_d03,ngrd,3*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling ana_rama.F... Compiling ana_rdhdr.F... Compiling ana_rdf.F... Compiling ana_rdfram.F... ana_rdfram.F:194:29: 193 | call ga_brdcst(mag_d03,succes,ma_sizeof(mt_log,1,mt_byte),0) | 2 194 | call ga_brdcst(mag_d04,ix,msa*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ana_rdref.F... Compiling ana_rdtop.F... ana_rdtop.F:165:29: 163 | call ga_brdcst(mag_d02,ltop,ma_sizeof(mt_log,1,mt_byte),0) | 2 164 | if(ltop) then 165 | call ga_brdcst(mag_d01,qs,nsa*ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling ana_report.F... ana_report.F:135:58: 135 | + ndxj(j,3),jtxt(j),tim(j),100.0d0*tim(j)/(timf-timi) | ^ Warning: 'timf' may be used uninitialized [-Wmaybe-uninitialized] ana_report.F:71:40: 71 | real*8 ctime,ptime,dtime,timi,timf | ^ note: 'timf' was declared here Compiling ana_rmsdev.F... Compiling ana_rtdbin.F... Compiling ana_select.F... Compiling ana_sizref.F... Compiling ana_tag.F... ana_tag.F:124:29: 123 | call ga_brdcst(mag_d06,byte_mb(i_tag),48*nsa,0) | 2 124 | call ga_brdcst(mag_d06,dbl_mb(i_tag),16*nsa,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). Compiling ana_task.F... Compiling ana_torsion.F... ana_task.F:1004:72: 1004 | + nsa,msa,.true.,rms0,rms1,dbl_mb(i_wdat),mwm,nwm,mwa,nwa,.true.) | 1 Warning: More actual than formal arguments in procedure call at (1) ana_task.F:1234:72: 1234 | + nsa,msa,.true.,rms0,rms1,dbl_mb(i_wdat),mwm,nwm,mwa,nwa,.true.) | 1 Warning: More actual than formal arguments in procedure call at (1) ana_task.F:1303:72: 1303 | + nsa,msa,.true.,rms0,rms1,dbl_mb(i_wdat),mwm,nwm,mwa,nwa,.true.) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling ana_wtfram.F... Compiling ana_wthdr.F... Compiling ana_wrtpdb.F... Compiling ana_wrtxyz.F... Compiling ana_xaver.F... Compiling ana_covar.F... Compiling analyz.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/analyz' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/analyz' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libanalyze.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libanalyze.a ana_angle.o ana_atrad.o ana_bond.o ana_chgdst.o ana_data.o ana_define.o ana_diel.o ana_esppt.o ana_finish.o ana_groups.o ana_hbond.o ana_index.o ana_init.o ana_inirms.o ana_initx.o ana_input.o ana_pltgrd.o ana_rama.o ana_rdhdr.o ana_rdf.o ana_rdfram.o ana_rdref.o ana_rdtop.o ana_report.o ana_rmsdev.o ana_rtdbin.o ana_select.o ana_sizref.o ana_tag.o ana_task.o ana_torsion.o ana_wtfram.o ana_wthdr.o ana_wrtpdb.o ana_wrtxyz.o ana_xaver.o ana_covar.o analyz.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libanalyze.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libanalyze.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libanalyze.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/analyz' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/analyz' Making libraries in nwmd make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwmd' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwmd' Compiling nwmd.F... Compiling md_start.F... Compiling md_input.F... md_start.F:1986:7: 1717 | call md_abort('Unable to read restart file in md_rest ',me) | 2 ...... 1986 | + ' of number of processors',ga_nodeid()) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(24)/INTEGER(8)). md_start.F:1986:72: 1986 | + ' of number of processors',ga_nodeid()) | 1 Warning: More actual than formal arguments in procedure call at (1) md_start.F:954:52: 755 | if(.not.rtdb_get(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 954 | if(.not.rtdb_get(irtdb,'md:idscb',mt_int,nscb,idscb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) md_start.F:986:50: 755 | if(.not.rtdb_get(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 986 | if(.not.rtdb_get(irtdb,'md:facpmf',mt_dbl,1,facpmf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_start.F:1323:44: 1323 | if(nserie.gt.0) call md_rdrest(lfnrst,filrst) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_start.F:1330:17-30: 1330 | nbytes=loc(inp_ptr)-loc(ptol) | 2 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_start.F:1333:29: 1331 | call ga_brdcst(mrg_d36,ptol,nbytes,0) | 2 1332 | nbytes=7*ma_sizeof(mt_int,1,mt_byte) 1333 | call ga_brdcst(mrg_d37,npx,nbytes,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). md_input.F:1849:52: 1650 | if(.not.rtdb_put(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 1849 | if(.not.rtdb_put(irtdb,'md:idscb',mt_int,nscb,idscb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) md_input.F:1881:50: 1650 | if(.not.rtdb_put(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 1881 | if(.not.rtdb_put(irtdb,'md:facpmf',mt_dbl,1,facpmf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_input.F:1889:54: 1650 | if(.not.rtdb_put(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 1889 | if(.not.rtdb_put(irtdb,'md:itime',mt_int,mtimes,itime)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling md_main.F... Compiling md_finish.F... Compiling prp_init.F... md_main.F:1608:57: 1608 | if(frequency(mdstep,nfrest)) call md_wrtrst(lfnrst,rfile,.true.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:1310:28: 1310 | call md_wrtrst(lfnrst,rfile,.true.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:2076:27: 2076 | call ga_dgop(mrg_d45,dmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:854:27: 854 | call ga_dgop(mrg_d08,fnorm1,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:898:27: 898 | call ga_dgop(mrg_d09,ypa,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:899:27: 899 | call ga_dgop(mrg_d10,pnorm,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1002:27: 1002 | call ga_dgop(mrg_d11,ypb,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1070:27: 1070 | call ga_dgop(mrg_d12,dxmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1126:27: 1126 | call ga_dgop(mrg_d12,dxmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1160:27: 1160 | call ga_dgop(mrg_d13,fnorm2,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1203:28: 1203 | call md_wrtrst(lfnqrs,filqrs,.false.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:647:28: 647 | call md_wrtrst(lfnqrs,filqrs,.false.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:3071:39: 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 ...... 3071 | if(np.gt.1) call ga_dgop(mrg_d49,mm,msm,'+') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). md_main.F:2699:39: 2699 | if(np.gt.1) call ga_dgop(mrg_d06,pmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling prp_main.F... md_start.F:319:72: 319 | root=filnam(1:ibl)//gid | ^ Warning: 'ibl' may be used uninitialized [-Wmaybe-uninitialized] md_start.F:12:21: 12 | integer iun,ibl | ^ note: 'ibl' was declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwmd' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwmd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwmd.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwmd.a nwmd.o md_start.o md_input.o md_main.o md_finish.o prp_init.o prp_main.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwmd.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwmd.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwmd.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwmd' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwmd' Making libraries in cafe make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cafe' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cafe' Compiling cf_d.F... Compiling cf_fp.F... Compiling cf_f.F... Compiling cf_finish.F... Compiling cf_forces.F... Compiling cf_forcep.F... Compiling cf_hopping.F... Compiling cf_induce.F... Compiling cf_init.F... Compiling cf_list.F... cf_init.F:520:28: 518 | call ga_brdcst(mcf_60,ipmf,8*numpmf*lenint,0) | 2 519 | call ga_brdcst(mcf_61,jpmf,4*numpmf*npmfa*lenint,0) 520 | call ga_brdcst(mcf_62,rpmf,18*numpmf*lendbl,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_init.F:267:28: 267 | call ga_brdcst(mcf_55,ndrs,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 518 | call ga_brdcst(mcf_60,ipmf,8*numpmf*lenint,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_init.F:335:28: 335 | call ga_brdcst(mcf_75,nbias,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 518 | call ga_brdcst(mcf_60,ipmf,8*numpmf*lenint,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling cf_main.F... Compiling cf_pairs.F... Compiling cf_pbc.F... cf_init.F:2133:72: 2133 | rlam(1)=one-rlam(1) | ^ Warning: 'rlam' may be used uninitialized [-Wmaybe-uninitialized] cf_init.F:2109:28: 2109 | real*8 tlam(3),rlam(3),slam(3) | ^ note: 'rlam' declared here cf_init.F:2134:72: 2134 | rlam(2)=one-rlam(2) | ^ Warning: 'rlam' may be used uninitialized [-Wmaybe-uninitialized] cf_init.F:2109:28: 2109 | real*8 tlam(3),rlam(3),slam(3) | ^ note: 'rlam' declared here cf_init.F:2135:72: 2135 | rlam(3)=one-rlam(3) | ^ Warning: 'rlam' may be used uninitialized [-Wmaybe-uninitialized] cf_init.F:2109:28: 2109 | real*8 tlam(3),rlam(3),slam(3) | ^ note: 'rlam' declared here Compiling cf_rdgeom.F... cf_rdgeom.F:162:28: 131 | call ga_brdcst(mcf_01,idata,16*numbi,0) | 2 ...... 162 | call ga_brdcst(mcf_03,dbl_mb(i_mas),6*mat*numbd,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling cf_shake.F... Compiling cf_grid.F... Compiling cf_rdtop.F... cf_main.F:3457:29: 2990 | call ga_brdcst(mrg_d47,itarget,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 3457 | call ga_brdcst(mrg_d47,fact,3*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2066:58: 1714 | + ign,isgm,iml,idt,ich,chg, | 2 ...... 2066 | + nmul,mmult,imul(1,1),imul(1,2),imul(1,3),imul(1,4),dbl_mb(i_chg), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2067:21: 1715 | + xpmf(1,1,i),ft,et,.false.,.false.,.false.,me.eq.0, | 2 ...... 2067 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). cf_main.F:2067:51: 1715 | + xpmf(1,1,i),ft,et,.false.,.false.,.false.,me.eq.0, | 2 ...... 2067 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). cf_main.F:2068:7: 1716 | + dbl_mb(i_sti),lseq) | 2 ...... 2068 | + int_mb(i_lseq)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cf_main.F:2075:7: 1754 | call cf_fsh(1,it,1,3,ip,rpmf(1,1,i),rv,3,4, | 2 ...... 2075 | + dbl_mb(i_rub(2)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2076:12: 1755 | + ign,isgm,iml,idt,ich,chg, | 2 ...... 2076 | + nmul,mmult,imul(1,1),imul(1,2),imul(1,3),imul(1,4),dbl_mb(i_chg), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:2085:7: 1796 | call cf_fsd(1,it,1,3,ip,rpmf(1,1,i),rv,4,4,ign,isgm,iml,idt, | 2 ...... 2085 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2085:21: 1797 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2085 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). cf_main.F:2085:51: 1797 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2085 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). cf_main.F:2093:7: 1802 | call cf_fso(1,it,1,3,ip,rpmf(1,1,i),rv,4,4,ign,isgm,iml,idt, | 2 ...... 2093 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2093:21: 1803 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2093 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). cf_main.F:2093:51: 1803 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2093 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). cf_main.F:1395:26: 1395 | call ga_dgop(mcf_44,fnorm,1,'+') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:1396:26: 1396 | call ga_dgop(mcf_45,fmax,1,'max') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:128:26: 128 | call ga_dgop(mcf_34,wbox,1,'+') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:1005:26: 1005 | call ga_dgop(mcf_40,ewk,1,'+') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_rdtop.F:356:28: 321 | call ga_brdcst(mcf_01,idata,20*numbi,0) | 2 ...... 356 | call ga_brdcst(mcf_03,dbl_mb(i_mas),mset*mat*numbd,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_rdtop.F:472:28: 321 | call ga_brdcst(mcf_01,idata,20*numbi,0) | 2 ...... 472 | call ga_brdcst(mcf_69,iffld,numbi,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling cf_uhop.F... Compiling pme_init.F... Compiling pme_fft.F... Compiling pme_grid.F... pme_grid.F:522:49: 361 | + jlsl+maxy-1,grid(minx,miny,k),mgrx) | 2 ...... 522 | call ga_get(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). pme_grid.F:488:49: 200 | + jlsl+maxy-1,grid(minx,miny,k),mgrx,one) | 2 ...... 488 | call ga_acc(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). pme_grid.F:488:57: 200 | + jlsl+maxy-1,grid(minx,miny,k),mgrx,one) | 2 ...... 488 | call ga_acc(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). pme_grid.F:329:7: 329 | + grid(1,1),mgrx) | 1 ...... 486 | call ga_put(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_f.fh:1984:72: 1984 | qsa2(i)=chg(isq2(i),1,lseq(isgm(i))) | ^ Warning: 'MEM[(integer(kind=8)[0:D.7849] *)_2236][_34]' may be used uninitialized [-Wmaybe-uninitialized] cf_f.fh:4662:9: 4662 | if(isrx.eq.999) then | ^ Warning: 'isrx' may be used uninitialized [-Wmaybe-uninitialized] cf_f.fh:4551:57: 4551 | integer i,j,ist,isa,jsa,isf,jsf,isad,istt,jstt,isrx | ^ note: 'isrx' was declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cafe' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cafe' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libcafe.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libcafe.a cf_d.o cf_fp.o cf_f.o cf_finish.o cf_forces.o cf_forcep.o cf_hopping.o cf_induce.o cf_init.o cf_list.o cf_main.o cf_pairs.o cf_pbc.o cf_rdgeom.o cf_shake.o cf_grid.o cf_rdtop.o cf_uhop.o pme_init.o pme_fft.o pme_grid.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libcafe.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libcafe.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libcafe.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cafe' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cafe' Making libraries in space make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/space' Compiling sp_init.F... Compiling sp_main.F... sp_init.F:4060:54: 4047 | call ga_put(ga_ip,ilp,ihp,jlp,jhp,ipl,mbox) | 2 ...... 4060 | call ga_put(ga_w,ilw,ilw+nwmn-1,jlw,jlw+3*mwa-1,xw,mwm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_init.F:4082:28: 4081 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 4082 | call ga_brdcst(msp_13,rtemp,12*ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_init.F:4109:56: 4097 | call ga_get(ga_ip,ilp,ihp,jlp,jhp,ipl,mbox) | 2 ...... 4109 | call ga_get(ga_w,ilw,ilw+nwmloc-1,jlw,jlw+3*mwa-1,xw,mwm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_init.F:1199:28: 1199 | call ga_brdcst(msp_28,ndums,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 4081 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:3032:28: 3032 | call ga_brdcst(msp_10,npp,nbytes,0) | 1 ...... 4081 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:2091:26: 2091 | call ga_igop(msp_29,nrempr,1,'max') | 1 ...... 2943 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:1714:38: 1714 | if(np.gt.1) call ga_igop(msp_20,mbbl,1,'max') | 1 ...... 2943 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:1871:38: 1871 | if(np.gt.1) call ga_igop(msp_20,mbbl,1,'max') | 1 ...... 2943 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:455:38: 455 | if(np.gt.1) call ga_igop(msp_07,mbox,1,'max') | 1 ...... 2943 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:126:28: 126 | call ga_brdcst(msp_02,nsm,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 4081 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:2240:35: 2221 | call ga_acc(ga_w,il,ih,jl+6*mwa+3,jl+9*mwa+2,fw,mwm,one) | 2 ...... 2240 | call ga_acc(ga_iwz,il,ih,1,1,iwz,mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_init.F:2240:43: 2221 | call ga_acc(ga_w,il,ih,jl+6*mwa+3,jl+9*mwa+2,fw,mwm,one) | 2 ...... 2240 | call ga_acc(ga_iwz,il,ih,1,1,iwz,mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:3870:15: 3726 | call ga_brdcst(msp_16,nen(1,1),np*intsiz,0) | 2 ...... 3870 | + (msp_19,boxsiz,ma_sizeof(mt_dbl,3*maxbox,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_main.F:3397:7: 3391 | + fw(indexw,1,1,1),mwm,one,handle_fw) | 2 ...... 3397 | + iwz(indexw),mwm,1,handle_iw) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:3397:23: 3391 | + fw(indexw,1,1,1),mwm,one,handle_fw) | 2 ...... 3397 | + iwz(indexw),mwm,1,handle_iw) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:3254:51: 3249 | + fw(nwmloc+1,1,1,1),mwm,one) | 2 ...... 3254 | call ga_acc(ga_iwz,il+jwfr-1,il+jwto-1,jl,jl,iwz(nwmloc+1),mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:3254:69: 3249 | + fw(nwmloc+1,1,1,1),mwm,one) | 2 ...... 3254 | call ga_acc(ga_iwz,il+jwfr-1,il+jwto-1,jl,jl,iwz(nwmloc+1),mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:2895:7: 2880 | + isga(ndxda+1),msa) | 2 ...... 2895 | + xs(ndxda+1,1),msa) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_main.F:2187:7: 2180 | + iwl(indexw,1),mwm,handle_iw) | 2 ...... 2187 | + xw(indexw,1,1),mwm,handle_w) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_main.F:706:43: 694 | call ga_put(ga_ip,il,ih,jl,jh,ipl,mbox) | 2 ...... 706 | call ga_put(ga_w,il,ih,jl,jl+3*mwa-1,xw,mwm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_main.F:1986:26: 1986 | call ga_igop(msp_23,nfold,1,'+') | 1 ...... 3585 | call ga_igop(msp_14,nlst,2*npp,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_main.F:2610:72: 2610 | lbbl(ibbl,10)=ipl(indx,5) | ^ Warning: 'indx' may be used uninitialized [-Wmaybe-uninitialized] sp_main.F:2560:22: 2560 | integer i,j,indx,jndx,il,ih,jl,jh,indexw,indexs,nndexw,nndexs | ^ note: 'indx' was declared here sp_main.F:2680:72: 2680 | lbbl(ibbl,14)=jpl(jndx,5) | ^ Warning: 'jndx' may be used uninitialized [-Wmaybe-uninitialized] sp_main.F:2560:27: 2560 | integer i,j,indx,jndx,il,ih,jl,jh,indexw,indexs,nndexw,nndexs | ^ note: 'jndx' was declared here make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/space' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libspace.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libspace.a sp_init.o sp_main.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libspace.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libspace.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libspace.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/space' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/space' Making libraries in drdy make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/drdy' Compiling atsym.F... Compiling drdy.F... Compiling drdy_input.F... drdy_input.F:113:55: 110 | if (.not. rtdb_put(rtdb,'drdy:autosym',mt_log,1,oautosym)) | 2 ...... 113 | if (.not. rtdb_put(rtdb,'drdy:threquiv',mt_dbl,1,threquiv)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling Input_for_drdy.F... Compiling drdy_synch.F... Compiling read_drdy_rtdb.F... Compiling rgener.F... Compiling ratoms.F... Compiling rstat.F... Compiling rpath.F... Compiling rgeom.F... Compiling rgsad.F... Compiling rphwrt.F... Compiling drdy_sort.F... Compiling react.F... Compiling potset_nwchem.F... Compiling trans.F... Compiling tranf.F... Compiling drdy_center.F... Compiling rotx.F... Compiling moiten.F... Compiling pot2.F... Compiling rotmat.F... Compiling rotg.F... Compiling rotf.F... Compiling restor.F... Compiling drdy_nwc_get.F... drdy_nwc_get.F:24:55: 16 | if (.not.rtdb_get(rtdb,'task:status', mt_log, 1, task_status)) | 2 ...... 24 | if (.not.rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling react2.F... Compiling saddle.F... Compiling setpth.F... setpth.F:33:10: 33 | if (u0(ilrg,1)*dir .lt. 0.0d00) then | ^ Warning: 'ilrg' may be used uninitialized [-Wmaybe-uninitialized] setpth.F:12:25: 12 | Integer i,ierr,ilrg | ^ note: 'ilrg' was declared here Compiling diagf.F... Compiling pmlqsp.F... Compiling mxlneq.F... Compiling pmclqa.F... Compiling path.F... Compiling path2.F... Compiling pot1.F... Compiling euler.F... Compiling pmlqa.F... pmlqa.F:89:72: 89 | t = t - (dels-s)*delt/(slast-s) | ^ Warning: 'slast' may be used uninitialized [-Wmaybe-uninitialized] pmlqa.F:25:49: 25 | Double Precision arg,delt,ft,ftlast,s,slast,sum,t,ts,xnorm | ^ note: 'slast' was declared here Compiling dsdt.F... Compiling rsp.F... rsp.F:311:16: 311 | IF (E2(M) .LE. C) GO TO 120 | ^ Warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] rsp.F:308:10: 308 | C = B * B | ^ note: 'c' was declared here Compiling pmcube.F... Compiling fdiag.F... Compiling potsp.F... Compiling projct.F... Compiling pythag.F... Compiling getstr.F... Compiling io.F... Compiling sumout.F... Compiling wfiles.F... Compiling nwc_gen.F... nwc_gen.F:78:59: 74 | if (.not. rtdb_get(my_rtdb,'drdy:autosym',mt_log,1,oautosym)) | 2 ...... 78 | if (.not.rtdb_get(my_rtdb,'drdy:threquiv',mt_dbl,1,threquiv)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). nwc_gen.F:89:24: 83 | call ycopy(n3,x,1,dx,1) ! temporary use of dx | 2 ...... 89 | call ycopy(3*n3,0.d0,0,velocities,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/drdy' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdrdy.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdrdy.a atsym.o drdy.o drdy_input.o Input_for_drdy.o drdy_synch.o read_drdy_rtdb.o rgener.o ratoms.o rstat.o rpath.o rgeom.o rgsad.o rphwrt.o drdy_sort.o react.o potset_nwchem.o trans.o tranf.o drdy_center.o rotx.o moiten.o pot2.o rotmat.o rotg.o rotf.o restor.o drdy_nwc_get.o react2.o saddle.o setpth.o diagf.o pmlqsp.o mxlneq.o pmclqa.o path.o path2.o pot1.o euler.o pmlqa.o dsdt.o rsp.o pmcube.o fdiag.o potsp.o projct.o pythag.o getstr.o io.o sumout.o wfiles.o nwc_gen.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdrdy.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdrdy.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdrdy.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/drdy' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/drdy' Making libraries in vscf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/vscf' Compiling vscf_input.F... vscf_input.F:75:55: 43 | if (.not. rtdb_put(rtdb,'vscf:ngrid',mt_int,1,ngrid)) | 2 ...... 75 | if (.not. rtdb_put(rtdb,'vscf:vcfct',mt_dbl,1,vcfct)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling vscf.F... vscf.F:600:55: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 600 | if (.not.rtdb_get(rtdb,'prop:dipval',mt_dbl,3,dmtemp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vscf.F:697:60: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 697 | if (.not.rtdb_get(rtdb,'prop:dipval',mt_dbl,3,dmtemp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vscf.F:793:30: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 793 | & mt_dbl,3,dmtemp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vscf.F:2670:54: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 2670 | if (.not. rtdb_get(rtdb,'vscf:restart',mt_log,1,restart)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). vscf.F:2165:29: 2165 | CALL ga_brdcst(msg_ns3,nstart,7*ma_sizeof(mt_int,1,mt_byte), | 1 ...... 2647 | CALL ga_brdcst(msg_diagv,diag_exists, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). vscf.F:186:56: 186 | if (.not. rtdb_put(rtdb,'vscf:restart',mt_log,1,restart)) | 1 ...... 594 | if (.not.rtdb_put(rtdb,'prop:dipole',mt_int,1,0)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). vscf.F:1742:72: 1742 | emp1=v(istate) | ^ Warning: 'istate' may be used uninitialized [-Wmaybe-uninitialized] vscf.F:1707:32: 1707 | if (isum.eq.NM) istate=j | ^ note: 'istate' was declared here make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/vscf' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libvscf.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libvscf.a vscf_input.o vscf.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libvscf.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libvscf.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libvscf.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/vscf' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/vscf' Making libraries in qmmm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/qmmm' Compiling qmmm.F... Compiling task_qmmm_gradient.F... task_qmmm_gradient.F:283:50: 126 | $ numerical)) numerical = .false. | 2 ...... 283 | if(.not.rtdb_get(irtdb,"neb:ibead",mt_int,1,ibead)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_qmmm_gradient.F:817:25: 198 | if (.not. rtdb_put(rtdb,'qmmm:bq_nuc_energy',mt_dbl,1,ebq)) | 2 ...... 817 | > mt_int,nact,int_mb(i_cons))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). task_qmmm_gradient.F:389:20: 189 | call dfill(3*nfg,0,dbl_mb(i_g),1) | 2 ...... 389 | call dfill(na,0.0d0,dbl_mb(i_q),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling mm_interface.F... Compiling qmmm_link.F... Compiling qmmm_data.F... qmmm_data.F:111:72: 111 | + call errquit(pname//'failed to get bqzone from mm',0) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) qmmm_data.F:126:43: 33 | if(.not.rtdb_get(irtdb,'charge',mt_dbl,1,qcharge)) then | 2 ...... 126 | if (.not.rtdb_get(irtdb,tag,mt_int,1,bq_exclude)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). qmmm_data.F:127:45: 95 | if (.not.rtdb_put(irtdb,"qmmm:uqmatm",mt_dbl,1,eatoms)) | 2 ...... 127 | if (.not.rtdb_put(irtdb,tag,mt_int,1,bq_exclude)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling qmmm_lbfgsb.F... qmmm_lbfgsb.F:112:56: 103 | if (.not. rtdb_get(irtdb,'driver:gmax_tol',mt_dbl,1,tol(1))) | 2 ...... 112 | if (.not. rtdb_get(irtdb,'driver:nptopt',mt_int,1,maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). qmmm_lbfgsb.F:322:72: 322 | + call errquit( pname//'Failed to deallocate memory') | 1 Warning: Missing actual argument for argument '_formal_6' at (1) Compiling qmmm_utils.F... Compiling task_qmmm_energy.F... Compiling qmmm_main.F... qmmm_main.F:72:54: 42 | if (.not. rtdb_get(inrtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 72 | if (.not.rtdb_get(inrtdb,'qmmm:uqmatm',mt_dbl,1,eatoms)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). task_qmmm_energy.F:1051:32: 1024 | if (.not. rtdb_get(rtdb, 'qmmm:active_region', mt_log,1,oregion)) | 2 ...... 1051 | > mt_int,1,nregion)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_qmmm_energy.F:604:54: 604 | if(.not.rtdb_put(rtdb,'qmmm:readesp',mt_log,1,.true.)) | 1 ...... 1099 | if (.not. rtdb_put(rtdb,'qmmm:energy',mt_dbl,1,energy/cau2kj)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling qmmm_check_forces.F... task_qmmm_energy.F:1671:72: 1671 | if(nregion.eq.0) return | ^ Warning: '__result_task_qmmm_energy_pes' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_energy.F:1524:6: 1524 | function task_qmmm_energy_pes(irtdb) | ^ note: '__result_task_qmmm_energy_pes' was declared here qmmm_check_forces.F:100:56: 47 | > mt_int,1,nregion)) | 2 ...... 100 | if (.not. rtdb_get(rtdb,'md:energy', mt_dbl, 1, e0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmmm_bq.F... qmmm_bq.F:66:34: 42 | > mt_dbl,3*n,c)) | 2 ...... 66 | > mt_int,1,0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). task_qmmm_energy.F:1420:72: 1420 | if(nregion.eq.0) return | ^ Warning: '__result_task_qmmm_energy_pes' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_energy.F:1273:6: 1273 | function task_qmmm_energy_pes0(irtdb) | ^ note: '__result_task_qmmm_energy_pes' was declared here Compiling qmmm_esp.F... Compiling qmmm_cons.F... qmmm_esp.F:182:36: 90 | if(.not.rtdb_put(rtdb,'esp:newgrd',mt_int,1,1)) | 2 ...... 182 | > mt_dbl,nqm,dbl_mb(i_q_qm))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). qmmm_esp.F:605:34: 69 | if(.not.rtdb_get(rtdb,'qmmm:readesp',mt_log,1,readesp)) | 2 ...... 605 | > mt_dbl,n,dbl_mb(i_epot))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling qmmm_geom.F... qmmm_esp.F:316:19: 316 | if(ofile.and.ga_nodeid().eq.0) then | ^ Warning: 'ofile' may be used uninitialized [-Wmaybe-uninitialized] qmmm_esp.F:272:19: 272 | logical ofile | ^ note: 'ofile' was declared here qmmm_cons.F:230:28: 89 | if (.not. rtdb_get(irtdb,'qmmm:fixsolvent',mt_log,1,fixw)) | 2 ...... 230 | + mt_int,nr,int_mb(i_ires))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling qmmm_bq_data.F... qmmm_esp.F:436:19: 436 | if(ofile.and.ga_nodeid().eq.0) then | ^ Warning: 'ofile' may be used uninitialized [-Wmaybe-uninitialized] qmmm_esp.F:388:19: 388 | logical ofile | ^ note: 'ofile' was declared here qmmm_cons.F:385:72: 385 | log_mb(i_maps+i-1) = flag | ^ Warning: 'flag' may be used uninitialized [-Wmaybe-uninitialized] qmmm_cons.F:338:18: 338 | logical flag | ^ note: 'flag' was declared here Compiling task_qmmm_optimize.F... qmmm_bq_data.F:66:26: 66 | call errquit(pname,"unknown option for charge expand",0,0) | 1 ...... 198 | + call errquit(pname//'Failed bq_pset',0,CALC_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(32)/INTEGER(8)). qmmm_bq_data.F:66:72: 66 | call errquit(pname,"unknown option for charge expand",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_geom.F:703:28: 703 | > 0, | 1 Warning: Rank mismatch in argument 'aiw' at (1) (rank-1 and scalar) qmmm_geom.F:82:34: 82 | > mt_int,1,nregion)) | 1 ...... 695 | > mt_log,1,update)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). qmmm_geom.F:268:39: 268 | call ga_brdcst(msg_qmmm_misc, ofile, | 1 ...... 483 | > byte_mb(i_t), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/CHARACTER(*)). qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_geom.F:1052:27: 243 | if(.not.rtdb_put(irtdb,'neb:custom_path',mt_log,1,custom_path)) | 2 ...... 1052 | + 3*n,dbl_mb(i_gt))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). qmmm_geom.F:1085:72: 1085 | + call errquit('qmmm: Failed to print geometry',0) | 1 Warning: Missing actual argument for argument '_formal_4' at (1) qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling task_qmmm_dynamics.F... task_qmmm_optimize.F:173:32: 166 | > mt_dbl,1,etol)) | 2 ...... 173 | > mt_int,1,nregion)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). task_qmmm_optimize.F:687:28: 166 | > mt_dbl,1,etol)) | 2 ...... 687 | + 2,rb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_qmmm_optimize.F:608:58: 608 | if (.not. rtdb_put(rtdb,'driver:nptopt',mt_int,1,maxiter)) | 1 ...... 767 | + 1,r)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). task_qmmm_dynamics.F:110:28: 102 | > mt_int,1,nregion)) | 2 ...... 110 | $ 1, oesp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). task_qmmm_dynamics.F:44:57: 44 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 1 ...... 265 | + 1,r)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling qmmm_output.F... task_qmmm_dynamics.F:152:21: 152 | logical status | ^ Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] qmmm_output.F:70:43: 70 | if (.not.rtdb_get(irtdb,tag,mt_int,1,bq_exclude)) then | 1 ...... 147 | if (.not.rtdb_get(irtdb,'qmmm:uqmatm',mt_dbl,1,eatoms)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). task_qmmm_optimize.F:654:21: 654 | logical status | ^ Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_optimize.F:422:72: 422 | return | ^ Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_optimize.F:365:21: 365 | logical status | ^ note: 'status' was declared here Compiling mm_utils.F... Compiling qmmm_input.F... qmmm_input.F:550:44: 550 | if (.not.rtdb_put(rtdb,tag,mt_int,1,itok)) | 1 ...... 808 | if(.not.rtdb_put(rtdb,tag,mt_log,1,.true.)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). qmmm_input.F:627:28: 627 | > call errquit(pname," spring",0,INPUT_ERR) | 1 ...... 831 | 998 call errquit(pname//'no token found '//token,0, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(7)/INTEGER(8)). qmmm_input.F:627:72: 627 | > call errquit(pname," spring",0,INPUT_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) mm_interface.F:2716:35: 2716 | call ga_dgop(msg_qmmm_forcew,grms,1,'+') | 1 ...... 3361 | call ga_dgop(msg_qmmm_force,g,3*nt,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mm_interface.F:2717:32: 2717 | call ga_dgop(msg_qmmm_nqm,ntot,1,'+') | 1 ...... 3361 | call ga_dgop(msg_qmmm_force,g,3*nt,'+') | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). mm_interface.F:3306:34: 3306 | call ga_dgop(msg_qmmm_force,grms,1,'+') | 1 ...... 3361 | call ga_dgop(msg_qmmm_force,g,3*nt,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mm_interface.F:3967:11: 441 | call ga_brdcst(msg_qmmm_misc,mm_read_frame, | 2 ...... 3967 | > ns, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling qmmm_pes.F... qmmm_pes.F:112:28: 104 | + 1,ncycles)) | 2 ...... 112 | + 2,rb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). qmmm_pes.F:24:21: 24 | logical status | ^ Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] Compiling qmmm_property.F... Compiling task_qmmm_fep.F... Compiling task_qmmm_abc.F... task_qmmm_fep.F:1000:58: 997 | if (.not.rtdb_get(rtdb,"qmmm:lambda",mt_dbl,1,lambda)) | 2 ...... 1000 | if (.not.rtdb_get(rtdb,"qmmm:trajectory_n",mt_int,3,trn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). task_qmmm_fep.F:326:56: 326 | if (.not.rtdb_get(rtdb,'qmmm:fep_lambda',mt_dbl,2,lambda)) then | 1 ...... 997 | if (.not.rtdb_get(rtdb,"qmmm:lambda",mt_dbl,1,lambda)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_qmmm_fep.F:60:32: 60 | > mt_int,1,nregion)) | 1 ...... 1039 | if(.not.rtdb_put(rtdb,'qmmm:readesp',mt_log,1,.true.)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_qmmm_fep.F:147:56: 147 | if (.not.rtdb_get(rtdb,'qmmm:fep_lambda',mt_dbl,2,lambda)) then | 1 ...... 997 | if (.not.rtdb_get(rtdb,"qmmm:lambda",mt_dbl,1,lambda)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_qmmm_abc.F:355:34: 250 | > mt_dbl,1,eref)) then | 2 ...... 355 | $ mt_log,1,oesp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_qmmm_abc.F:369:62: 268 | > mt_dbl,1,eref)) | 2 ...... 369 | if (.not. rtdb_put(rtdb, 'qmmm:active_region', mt_log,1,.true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_qmmm_abc.F:119:11: 119 | > fn, | 1 ...... 295 | call ga_brdcst(msg_qmmm_misc,ostatus, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_qmmm_fep.F:272:21: 272 | logical ostatus | ^ Warning: 'ostatus' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_fep.F:22:21: 22 | logical ostatus | ^ Warning: 'ostatus' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_abc.F:457:21: 457 | logical ostatus | ^ Warning: 'ostatus' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_fep.F:828:72: 828 | tsum = taver*ns | ^ Warning: 'taver' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_fep.F:791:28: 791 | double precision taver | ^ note: 'taver' was declared here task_qmmm_fep.F:903:72: 903 | de(n) = -kb_au*tav*log(fsum(n)/(in+nf0)) | ^ Warning: 'nf0' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_fep.F:786:23: 786 | integer in,nf,nf0 | ^ note: 'nf0' was declared here mm_interface.F:1685:11: 1685 | if(int_mb(psl+i-1).eq.ai(j)) then | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] mm_interface.F:1669:17: 1669 | integer i,j | ^ note: 'j' was declared here mm_interface.F:1726:11: 1726 | if(int_mb(psl+i-1).eq.ai(j)) then | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] mm_interface.F:1710:17: 1710 | integer i,j | ^ note: 'j' was declared here make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/qmmm' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libqmmm.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libqmmm.a qmmm.o task_qmmm_gradient.o mm_interface.o qmmm_link.o qmmm_data.o qmmm_lbfgsb.o qmmm_utils.o task_qmmm_energy.o qmmm_main.o qmmm_check_forces.o qmmm_bq.o qmmm_esp.o qmmm_cons.o qmmm_geom.o qmmm_bq_data.o task_qmmm_optimize.o task_qmmm_dynamics.o qmmm_output.o mm_utils.o qmmm_input.o qmmm_pes.o qmmm_property.o task_qmmm_fep.o task_qmmm_abc.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libqmmm.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libqmmm.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libqmmm.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/qmmm' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/qmmm' Making libraries in qmd make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/qmd' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/qmd' Compiling qmd_init.F... qmd_init.F:86:55: 78 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 86 | if (.not.rtdb_get(rtdb,'qmd:nstep_nucl',mt_int,1,nstep_nucl)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling qmd_driver.F... qmd_driver.F:135:55: 132 | if(.not.rtdb_get(rtdb,'qmd:cavity',mt_log,1,do_cavity)) | 2 ...... 135 | if(.not.rtdb_get(rtdb,'qmd:cavity_axis',mt_dbl,3,cavity_axis)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling qmd_main.F... qmd_main.F:109:52: 107 | if(.not.rtdb_get(irtdb,'task:gradient',mt_dbl,3*msa,buf)) | 2 108 | + call errquit('qmd_f: rtdb_get gradient failed',0, RTDB_ERR) 109 | if(.not.rtdb_get(irtdb,'task:energy',mt_dbl,1,energy)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling qmd_input.F... qmd_input.F:67:55: 62 | if (.not.rtdb_put(rtdb,'qmd:dt_nucl',mt_dbl,1,dt_nucl)) | 2 ...... 67 | if (.not.rtdb_put(rtdb,'qmd:nstep_nucl',mt_int,1,nstep_nucl)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). qmd_input.F:406:52: 400 | if (.not.rtdb_get(rtdb,'qmd:nstep_nucl',mt_int,1,nstep_nucl)) then | 2 ...... 406 | if (.not.rtdb_get(rtdb,'qmd:dt_nucl',mt_dbl,1,dt_nucl)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmd_start.F... Compiling task_qmd.F... Compiling qmd_nucl_dt2.F... Compiling qmd_nucl_dt.F... Compiling qmd_gradient.F... qmd_gradient.F:43:51: 41 | if(.not.rtdb_get(rtdb,'task:gradient',mt_dbl,3*nat,g)) | 2 42 | & call errquit(pname//'rtdb_get gradient',0,RTDB_ERR) 43 | if(.not.rtdb_get(rtdb,'task:energy',mt_dbl,1,energy)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling qmd_geom_store.F... Compiling qmd_thermostat.F... Compiling qmd_kinetic.F... Compiling qmd_write_trj.F... Compiling qmd_write_rst.F... Compiling qmd_ran1.F... Compiling qmd_gasdev.F... Compiling qmd_randomize.F... Compiling qmd_nucl_pos.F... Compiling qmd_nucl_vel.F... Compiling qmd_read_rst.F... Compiling qmd_gamdev.F... Compiling qmd_sumno.F... Compiling qmd_fix_momentum.F... Compiling qmd_freeze_inactive.F... Compiling qmd_cavity.F... Compiling qmd_energy.F... Compiling qmd_coup.F... Compiling qmd_move_civecs.F... Compiling qmd_elec_prop.F... Compiling qmd_tdks_enmo.F... qmd_tdks_enmo.F:302:49: 294 | if(.not. rtdb_put(rtdb,'dft:swap alpha',mt_int,2,swap)) | 2 ...... 302 | if(.not.rtdb_put(rtdb,'dft:noscf',mt_log,1,.true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). qmd_tdks_enmo.F:43:51: 43 | if(.not.rtdb_get(rtdb,'task:energy',mt_dbl,1,en(1))) | 1 ...... 129 | if (.not.rtdb_get(rtdb,'dft:noc',mt_int,2,nocc_verify)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmd_tddft_enmo.F... qmd_tddft_enmo.F:70:50: 70 | if(.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,en(1))) | 1 ...... 147 | if (.not.rtdb_get(rtdb,'dft:noc',mt_int,2,nocc_verify)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmd_namd_init.F... qmd_namd_init.F:72:49: 68 | if (.not.rtdb_get(rtdb,'qmd:dt_elec',mt_dbl,1,dt_elec)) | 2 ...... 72 | if (.not.rtdb_get(rtdb,'qmd:deco',mt_log,1,deco)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling qmd_namd_input.F... qmd_namd_input.F:46:52: 41 | if (.not.rtdb_put(rtdb,'qmd:dt_elec',mt_dbl,1,dt_elec)) | 2 ...... 46 | if (.not.rtdb_put(rtdb,'qmd:nstates',mt_int,1,nstates)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling qmd_set_den.F... Compiling qmd_coords_vels.F... Compiling qmd_civecs_read.F... Compiling qmd_property.F... Compiling qmd_ext.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/qmd' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/qmd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libqmd.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libqmd.a qmd_init.o qmd_driver.o qmd_main.o qmd_input.o qmd_start.o task_qmd.o qmd_nucl_dt2.o qmd_nucl_dt.o qmd_gradient.o qmd_geom_store.o qmd_thermostat.o qmd_kinetic.o qmd_write_trj.o qmd_write_rst.o qmd_ran1.o qmd_gasdev.o qmd_randomize.o qmd_nucl_pos.o qmd_nucl_vel.o qmd_read_rst.o qmd_gamdev.o qmd_sumno.o qmd_fix_momentum.o qmd_freeze_inactive.o qmd_cavity.o qmd_energy.o qmd_coup.o qmd_move_civecs.o qmd_elec_prop.o qmd_tdks_enmo.o qmd_tddft_enmo.o qmd_namd_init.o qmd_namd_input.o qmd_set_den.o qmd_coords_vels.o qmd_civecs_read.o qmd_property.o qmd_ext.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libqmd.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libqmd.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libqmd.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/qmd' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/qmd' Making libraries in etrans make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/etrans' Compiling et_calc.F... et_calc.F:632:53: 620 | if (.not. rtdb_get(rtdb, 'et:tol2e', MT_DBL, 1, tol2e)) then | 2 ...... 632 | if (.not.rtdb_get(rtdb,'et:method_2e',MT_INT,1,method_2e)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling et_calc_fmo.F... Compiling et_fmo_util.F... Compiling et_input.F... et_input.F:51:60: 41 | if (.not. rtdb_put(rtdb,'et:tol2e', MT_DBL, 1, tol2e)) | 2 ...... 51 | if (.not. rtdb_put(rtdb,'et:method_2e', MT_INT, 1, method_2e)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling et_det.F... Compiling et_2e.F... Compiling et_movecs_read.F... et_movecs_read.F:106:43: 102 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, mitob1, 0) ! Propagate status | 2 ...... 106 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, mdtob_nbf, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling et_vectors_inp.F... Compiling et_fock.F... Compiling et_dens_prod.F... Compiling et_omega2_mult.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/etrans' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libetrans.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libetrans.a et_calc.o et_calc_fmo.o et_fmo_util.o et_input.o et_det.o et_2e.o et_movecs_read.o et_vectors_inp.o et_fock.o et_dens_prod.o et_omega2_mult.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libetrans.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libetrans.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libetrans.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/etrans' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/etrans' Making libraries in tce make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce' Compiling tce_input.F... tce_input.F:149:54: 149 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 1 ...... 1807 | if (.not.rtdb_put(rtdb,'tce:lineresp',mt_log,1,lineresp)) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tce_init.F... tce_init.F:142:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 142 | if (.not.rtdb_get(rtdb,'dft:ipol',mt_int,1,ipol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tce_init.F:284:55: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 284 | if (.not.rtdb_put(rtdb,'tce:zlshift2',mt_dbl,2,zlshift2)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:290:55: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 290 | if (.not.rtdb_put(rtdb,'tce:zlshift3',mt_dbl,2,zlshift3)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:315:54: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 315 | if (.not.rtdb_put(rtdb,'tce:maxiter',mt_int,1,maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). tce_init.F:500:59: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 500 | if (.not.rtdb_put(rtdb,'tce:afreq',mt_dbl,anumfreq,afreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:512:59: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 512 | if (.not.rtdb_put(rtdb,'tce:bfreq',mt_dbl,bnumfreq,bfreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:527:53: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 527 | if (.not.rtdb_get(rtdb,'tce:respaxis',mt_log,3,respaxis)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:583:33: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 583 | & mt_log,4,restart_ignore_failure)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:593:15: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 593 | 1 save_integrals)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:604:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 604 | if (.not.rtdb_get(rtdb,'tce:save_t',mt_log,4,save_t)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:611:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 611 | if (.not.rtdb_get(rtdb,'tce:save_l',mt_log,4,save_l)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:618:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 618 | if (.not.rtdb_get(rtdb,'tce:save_tr',mt_log,8,save_tr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:626:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 626 | if (.not.rtdb_get(rtdb,'tce:save_lr',mt_log,8,save_lr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:633:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 633 | if (.not.rtdb_get(rtdb,'tce:save_x',mt_log,4,save_x)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:641:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 641 | if (.not.rtdb_get(rtdb,'tce:save_y',mt_log,4,save_y)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:677:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 677 | if (.not.rtdb_get(rtdb,'tce:read_t',mt_log,4,read_t)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:684:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 684 | if (.not.rtdb_get(rtdb,'tce:read_l',mt_log,4,read_l)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:691:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 691 | if (.not.rtdb_get(rtdb,'tce:read_tr',mt_log,8,read_tr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:699:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 699 | if (.not.rtdb_get(rtdb,'tce:read_lr',mt_log,8,read_lr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:707:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 707 | if (.not.rtdb_get(rtdb,'tce:read_x',mt_log,4,read_x)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:715:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 715 | if (.not.rtdb_get(rtdb,'tce:read_y',mt_log,4,read_y)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:890:57: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 890 | if (.not.rtdb_put(rtdb,'tce:qrot',mt_dbl,anumrot,arot)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tce_energy.F... Compiling tce_energy_fragment.F... tce_init.F:1195:10: 1195 | if (rohf) nmo(2) = nmo(1) | ^ Warning: 'rohf' may be used uninitialized [-Wmaybe-uninitialized] tce_init.F:48:18: 48 | logical rohf | ^ note: 'rohf' was declared here tce_energy_fragment.F:70:56: 60 | if (.not.rtdb_get(rtdb,'fragment:dipole',mt_log,1,dipole)) | 2 ...... 70 | if (.not.rtdb_get(rtdb,'fragment:radius',mt_dbl,1,radius)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce' Making all in include make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/include' tce_energy.F:605:15: 594 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 605 | 1 read_integrals)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tce_energy.F:612:17: 596 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 2 ...... 612 | 1 read_integrals)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling tce_tile.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/include' tce_tile.F:207:50: 175 | if (rtdb_get(rtdb,'tce:tilesize',mt_int,1,jsize)) then | 2 ...... 207 | if (.not.rtdb_get(rtdb,'tce:vcut',mt_dbl,1,vcut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tce_ao1e.F... Compiling tce_mo1e.F... tce_tile.F:357:72: 357 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_tile.F:68:23: 68 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here Compiling tce_ao2e.F... Compiling tce_filename.F... Compiling createfile.F... Compiling deletefile.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/include' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/include' Making all in diis make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/diis' deletefile.F:131:12: 131 | if (j.lt.nfiles) then | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] deletefile.F:22:17: 22 | integer i,j | ^ note: 'j' was declared here Compiling reconcilefile.F... Compiling dratoga.F... Compiling gatodra.F... Compiling gatoeaf.F... Compiling get_block.F... get_block.F:21:17: 21 | integer i,j | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] Compiling put_block.F... put_block.F:64:72: 64 | filename = filenames(j) | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] put_block.F:21:17: 21 | integer i,j | ^ note: 'j' was declared here Compiling add_block.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/diis' Compiling tce_tidy.F... add_block.F:29:17: 29 | integer i,j | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] Compiling sf_test.F... Compiling hbar.F... Compiling tce_mo2e.F... Compiling tce_mo1e_offset.F... Compiling tce_mo2e_offset.F... Compiling tce_e_offset.F... Compiling tce_diis.F... Compiling tce_guess_t1.F... Compiling tce_diis_init.F... Compiling tce_guess_t2.F... Compiling tce_diis_switch.F... Compiling tce_zero.F... Compiling tce_diis_tidy.F... Compiling tce_print_x1.F... Compiling tce_jacobi_t1.F... Compiling tce_print_x2.F... Compiling tce_jacobi_t2.F... Compiling tce_residual_t1.F... Compiling tce_jacobi_t3.F... Compiling tce_residual_t2.F... Compiling tce_jacobi_t4.F... Compiling tce_residual_t3.F... Compiling tce_jacobi_l1.F... Compiling tce_residual_t4.F... Compiling tce_jacobi_l2.F... Compiling ma_pack.F... Compiling tce_jacobi_l3.F... Compiling sf_print.F... Compiling tce_jacobi_l4.F... Compiling ma_print_compact.F... Compiling tce_jacobi_x1.F... Compiling ma_scale.F... Compiling tce_jacobi_x2.F... Compiling copyfile.F... Compiling tce_jacobi_x3.F... Compiling ddotfile.F... Compiling tce_jacobi_x4.F... Compiling daxfile.F... Compiling tce_jacobi_y1.F... Compiling daxpyfile.F... Compiling tce_jacobi_y2.F... Compiling dscalfile.F... Compiling tce_jacobi_y3.F... Compiling tce_aod1.F... Compiling tce_jacobi_y4.F... Compiling tce_nud1.F... Compiling tce_jacobi_t3a.F... Compiling tce_mod1.F... Compiling tce_jacobi_x3a.F... Compiling tce_mod1_offset.F... Compiling t2_2_y2.F... Compiling sym_abelian_axis.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/diis' Compiling tce_mod1_new.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/diis' tce_mod1_new.F:173:24: 89 | if (debugprint) call ga_print(g_aod1) | 2 ...... 173 | call ga_print(d_mod1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tce_mod1_offset_new.F... Compiling tce_eom_init.F... Compiling tce_eom_tidy.F... Compiling tce_eom_xdiagon.F... Compiling tce_eom_ydiagon.F... Compiling tce_t1_offset.F... Compiling tce_t2_offset.F... Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a tce_diis.o tce_diis_init.o tce_diis_switch.o tce_diis_tidy.o tce_jacobi_t1.o tce_jacobi_t2.o tce_jacobi_t3.o tce_jacobi_t4.o tce_jacobi_l1.o tce_jacobi_l2.o tce_jacobi_l3.o tce_jacobi_l4.o tce_jacobi_x1.o tce_jacobi_x2.o tce_jacobi_x3.o tce_jacobi_x4.o tce_jacobi_y1.o tce_jacobi_y2.o tce_jacobi_y3.o tce_jacobi_y4.o tce_jacobi_t3a.o tce_jacobi_x3a.o t2_2_y2.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/diis' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/diis' Making all in diis2 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/diis2' Compiling tce_t3_offset.F... Compiling tce_t4_offset.F... Compiling tce_x1_offset.F... Compiling tce_x2_offset.F... Compiling tce_x3_offset.F... Compiling tce_x4_offset.F... Compiling tce_y1_offset.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/diis2' Compiling tce_y2_offset.F... Compiling tce_y3_offset.F... Compiling tce_y4_offset.F... Compiling tce_mbpt2.F... Compiling tce_restricted.F... Compiling tce_hash.F... Compiling get_hash_block.F... Compiling put_hash_block.F... Compiling tce_diis2.F... Compiling add_hash_block.F... Compiling tce_jacobi_tr1.F... Compiling tce_residual_t3a.F... Compiling tce_jacobi_tr2.F... Compiling tce_t3a_offset.F... Compiling tce_jacobi_tr3.F... Compiling tce_x3a_offset.F... Compiling tce_jacobi_tr4.F... Compiling tce_cholesky.F... tce_cholesky.F:58:53: 50 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 58 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,ref)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tce_jacobi_lr1.F... Compiling tce_ao2e_cholesky.F... Compiling tce_jacobi_lr2.F... Compiling tce_ao2e_cholesky_2d.F... Compiling tce_jacobi_lr3.F... Compiling tce_ao2e_cholesky_4d.F... Compiling tce_jacobi_lr4.F... Compiling e2_offset_2_offset.F... Compiling get_block_ind.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/diis2' Compiling get_block_ind_sf.F... get_block_ind.F:200:72: 200 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx1' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:18: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx1' was declared here get_block_ind.F:200:72: 200 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx2' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:23: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx2' was declared here get_block_ind.F:200:72: 200 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx3' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:28: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx3' was declared here get_block_ind.F:200:72: 200 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx4' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:33: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx4' was declared here get_block_ind.F:219:72: 219 | key_alpha = first_h | ^ Warning: 'first_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:59:33: 59 | integer key_ix,nkey,first_h,second_h | ^ note: 'first_h' was declared here get_block_ind.F:507:72: 507 | key_alpha = second_h | ^ Warning: 'second_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:59:42: 59 | integer key_ix,nkey,first_h,second_h | ^ note: 'second_h' was declared here make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/diis2' Compiling tce_hash_ind.F... Compiling tce_mo2e_offset_intorb.F... get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx1' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:18: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx1' was declared here get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx2' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:23: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx2' was declared here get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx3' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:28: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx3' was declared here get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx4' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:33: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx4' was declared here get_block_ind_sf.F:207:72: 207 | key_alpha = first_h | ^ Warning: 'first_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:45:33: 45 | integer key_ix,nkey,first_h,second_h | ^ note: 'first_h' was declared here get_block_ind_sf.F:435:72: 435 | key_alpha = second_h | ^ Warning: 'second_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:45:42: 45 | integer key_ix,nkey,first_h,second_h | ^ note: 'second_h' was declared here Compiling tce_mo2e_offset_size.F... tce_mo2e_offset_intorb.F:141:72: 141 | int_mb(k_a_offset+4*(length1+1)+ipos)=g1a | ^ Warning: 'g1a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:20:25: 20 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g1a' was declared here tce_mo2e_offset_intorb.F:142:72: 142 | int_mb(k_a_offset+5*(length1+1)+ipos)=g2a !last do loop | ^ Warning: 'g2a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:20:29: 20 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g2a' was declared here tce_mo2e_offset_intorb.F:139:72: 139 | int_mb(k_a_offset+2*(length1+1)+ipos)=g3a !first do loop | ^ Warning: 'g3a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:20:17: 20 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g3a' was declared here tce_mo2e_offset_intorb.F:140:72: 140 | int_mb(k_a_offset+3*(length1+1)+ipos)=g4a | ^ Warning: 'g4a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:20:21: 20 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g4a' was declared here tce_mo2e_offset_intorb.F:138:72: 138 | int_mb(k_a_offset+(length1+1)+ipos)=size_last | ^ Warning: 'size_last' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:21:23: 21 | INTEGER size_last | ^ note: 'size_last' was declared here Compiling tce_mo2e_trans.F... tce_mo2e_offset_intorb.F:597:72: 597 | int_mb(k_a_offset+4*(length1+1)+ipos)=g1a | ^ Warning: 'g1a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:470:25: 470 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g1a' was declared here tce_mo2e_offset_intorb.F:598:72: 598 | int_mb(k_a_offset+5*(length1+1)+ipos)=g2a !last do loop | ^ Warning: 'g2a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:470:29: 470 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g2a' was declared here tce_mo2e_offset_intorb.F:595:72: 595 | int_mb(k_a_offset+2*(length1+1)+ipos)=g3a !first do loop | ^ Warning: 'g3a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:470:17: 470 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g3a' was declared here tce_mo2e_offset_intorb.F:596:72: 596 | int_mb(k_a_offset+3*(length1+1)+ipos)=g4a | ^ Warning: 'g4a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:470:21: 470 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g4a' was declared here tce_mo2e_offset_intorb.F:594:72: 594 | int_mb(k_a_offset+(length1+1)+ipos)=size_last | ^ Warning: 'size_last' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:471:23: 471 | INTEGER size_last | ^ note: 'size_last' was declared here Compiling atpart_nalength.F... Compiling tce_mo2e_zones_4a_disk_ga.F... Compiling tce_mo2e_zones_4a_disk_ga_chop.F... Compiling tce_mo2e_zones_4a_disk_2s_new.F... tce_mo2e_zones_4a_disk_ga.F:574:72: 574 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga.F:78:34: 78 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a tce_diis2.o tce_jacobi_tr1.o tce_jacobi_tr2.o tce_jacobi_tr3.o tce_jacobi_tr4.o tce_jacobi_lr1.o tce_jacobi_lr2.o tce_jacobi_lr3.o tce_jacobi_lr4.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/diis2' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/diis2' Making all in gradients make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/gradients' Compiling tce_restart.F... tce_mo2e_zones_4a_disk_ga_chop.F:580:72: 580 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_chop.F:84:34: 84 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_restart_triples.F... Compiling tce_restart_quadruples.F... Compiling tce_dens_hh_offset.F... Compiling tce_dens_hp_offset.F... Compiling tce_dens_pp_offset.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/gradients' Compiling tce_dens_ph_offset.F... Compiling get_mo_rdm_hh.F... Compiling get_mo_rdm_hp.F... Compiling get_mo_rdm_ph.F... Compiling get_mo_rdm_pp.F... Compiling ao_rdm_write.F... Compiling tce_prop_start.F... Compiling tce_property.F... Compiling tce_gradient.F... Compiling tce_diagnose_t1.F... tce_gradient.F:325:54: 317 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 325 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,ref)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tce_gradient.F:940:54: 319 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 2 ...... 940 | if (.not.rtdb_put(rtdb,'tce:energy',mt_dbl,1,ref+corr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ccsd_energy.F... Compiling tce_fourindex_driver.F... Compiling ccsd_left.F... Compiling tce_fock_create.F... Compiling ccsd_gradient.F... Compiling tce_multipole_create.F... Compiling ccsd_1pdm_hh_mo.F... Compiling tce_reference_check.F... tce_reference_check.F:43:53: 35 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 43 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,ref)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ccsd_1pdm_pp_mo.F... Compiling tce_fourindex_cleanup.F... Compiling ccsd_1pdm_hp_mo.F... Compiling tce_fock_destroy.F... Compiling ccsd_1pdm_ph_mo.F... Compiling tce_multipole_destroy.F... Compiling ccsd_2pdm_hhhh_mo.F... Compiling tce_create_t1.F... Compiling ccsd_2pdm_hhhp_mo.F... Compiling tce_create_t2.F... Compiling ccsd_2pdm_hhpp_mo.F... Compiling tce_create_t3.F... Compiling ccsd_2pdm_hphh_mo.F... Compiling tce_create_t4.F... Compiling ccsd_2pdm_hphp_mo.F... Compiling tce_create_x1.F... Compiling ccsd_2pdm_hppp_mo.F... Compiling tce_create_x2.F... Compiling ccsd_2pdm_pphh_mo.F... Compiling tce_create_x3.F... Compiling ccsd_2pdm_pphp_mo.F... Compiling tce_create_x4.F... Compiling ccsd_2pdm_pppp_mo.F... Compiling tce_create_y1.F... Compiling zvec_x_a_a.F... Compiling tce_create_y2.F... Compiling zvec_x_a_b_a.F... Compiling tce_create_y3.F... Compiling zvec_x_a_b_b.F... Compiling tce_create_y4.F... Compiling zvec_x_a_c_a.F... Compiling tce_clone_x1.F... Compiling zvec_x_a_c_b.F... Compiling tce_clone_x2.F... Compiling zvec_x_a_d.F... Compiling tce_clone_x3.F... Compiling zvec_x_a_e_a.F... Compiling tce_clone_x4.F... Compiling zvec_x_a_e_b.F... Compiling tce_clone_y1.F... Compiling zvec_x_a_f_a.F... Compiling tce_clone_y2.F... Compiling zvec_x_a_f_b.F... Compiling tce_clone_y3.F... Compiling zvec_x_b_a_a.F... Compiling tce_clone_y4.F... Compiling zvec_x_b_a_b.F... Compiling tce_t1_offset_new.F... Compiling zvec_x_b_b_a.F... Compiling tce_t2_offset_new.F... Compiling zvec_x_b_b_b.F... Compiling tce_t3_offset_new.F... Compiling zvec_x_b_c.F... Compiling tce_t4_offset_new.F... Compiling zvec_x_b_d_a.F... Compiling tce_x1_offset_new.F... Compiling zvec_x_b_d_b.F... Compiling tce_x2_offset_new.F... Compiling zvec_x_b_e_a.F... Compiling tce_x3_offset_new.F... Compiling zvec_x_b_e_b.F... Compiling tce_x4_offset_new.F... Compiling zvec_x_b_f.F... Compiling tce_y1_offset_new.F... Compiling zvec_x_c_a.F... Compiling tce_y2_offset_new.F... Compiling zvec_x_c_b.F... Compiling tce_y3_offset_new.F... Compiling ccsd_zvec.F... Compiling tce_y4_offset_new.F... Compiling wdm_hh_mo_a.F... Compiling tce_ccsd_driver.F... Compiling wdm_hh_mo_b_a_a.F... Compiling tce_ccsdt_driver.F... Compiling wdm_hh_mo_b_a_b.F... Compiling tce_ccsdtq_driver.F... Compiling wdm_hh_mo_b_b_a.F... Compiling tce_ccsd_perturbative.F... Compiling wdm_hh_mo_b_b_b.F... Compiling tce_ccsd_lambda_perturbative.F... Compiling wdm_hh_mo_c_a.F... Compiling tce_ccsd_lambda_driver.F... Compiling wdm_hh_mo_c_b_a.F... Compiling tce_ccsdt_lambda_driver.F... Compiling wdm_hh_mo_c_b_b.F... Compiling tce_ccsdtq_lambda_driver.F... Compiling wdm_hh_mo_c_c_a.F... Compiling tce_ccsd_response_driver.F... Compiling wdm_hh_mo_c_c_b.F... Compiling tce_ccsdt_response_driver.F... Compiling tce_ccsdtq_response_driver.F... Compiling wdm_hh_mo_c_d.F... Compiling tce_ccsd_symm_polar.F... Compiling wdm_hh_mo_c_e_a.F... Compiling tce_ccsdt_symm_polar.F... Compiling wdm_hh_mo_c_e_b.F... Compiling tce_ccsdtq_symm_polar.F... Compiling wdm_hh_mo_c_f_a.F... Compiling tce_ccsd_lambda_response_driver.F... Compiling wdm_hh_mo_c_f_b.F... Compiling tce_ccsd_asym_polar.F... Compiling wdm_hh_mo_d.F... Compiling tce_ccsd_hyperpolar.F... Compiling wdm_hp_mo_a.F... Compiling tce_ao2e_new.F... Compiling wdm_hp_mo_b_a_a.F... Compiling tce_mo2e_new.F... Compiling wdm_hp_mo_b_a_b.F... Compiling tce_tile_new.F... Compiling wdm_hp_mo_b_b_a.F... tce_tile_new.F:112:50: 98 | if (rtdb_get(rtdb,'tce:tilesize',mt_int,1,jsize)) then | 2 ...... 112 | if (.not.rtdb_get(rtdb,'tce:vcut',mt_dbl,1,vcut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tce_init_new.F... Compiling wdm_hp_mo_b_b_b.F... tce_init_new.F:121:51: 78 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 121 | if (.not.rtdb_get(rtdb,'dft:ipol',mt_int,1,ipol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tce_init_new.F:201:54: 191 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 201 | if (.not.rtdb_put(rtdb,'tce:maxiter',mt_int,1,maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). tce_init_new.F:335:59: 191 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 335 | if (.not.rtdb_put(rtdb,'tce:afreq',mt_dbl,anumfreq,afreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init_new.F:349:59: 191 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 349 | if (.not.rtdb_put(rtdb,'tce:bfreq',mt_dbl,bnumfreq,bfreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init_new.F:353:53: 78 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 353 | if (.not.rtdb_get(rtdb,'tce:respaxis',mt_log,3,respaxis)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_tile_new.F:451:72: 451 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_tile_new.F:387:23: 387 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here Compiling tce_mo2e_zones_4a_disk_4s_new_patch.F... Compiling wdm_hp_mo_b_c.F... Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m2.F... tce_init_new.F:602:10: 602 | if (rohf) nmo(2) = nmo(1) | ^ Warning: 'rohf' may be used uninitialized [-Wmaybe-uninitialized] tce_init_new.F:42:18: 42 | logical rohf | ^ note: 'rohf' was declared here Compiling wdm_hp_mo_b_d_a.F... tce_tile_new.F:750:72: 750 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_tile_new.F:686:23: 686 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m3.F... Compiling wdm_hp_mo_b_d_b.F... Compiling tce_ao2e_disk.F... Compiling wdm_hp_mo_b_e_a.F... Compiling tce_mo2e_disk.F... Compiling wdm_hp_mo_b_e_b.F... Compiling wdm_hp_mo_b_f.F... Compiling tce_mo2e_disk_2eorb.F... Compiling wdm_hp_mo_c.F... tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:262:10: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_max2' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:101:33: 101 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'size_max2' declared here tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:262:10: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_4af' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:96:41: 96 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here Compiling tce_mo2e_incore_2eorb.F... tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:261:11: 261 | if(size_4af.le.size_max2) then | ^ Warning: 'size_max2' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:101:33: 101 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'size_max2' declared here tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:261:11: 261 | if(size_4af.le.size_max2) then | ^ Warning: 'size_4af' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:96:41: 96 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here Compiling wdm_pp_mo_a.F... Compiling tce_mo2e_incore_2eorb_split.F... Compiling wdm_pp_mo_b_a_a.F... Compiling tce_mo2e_hybrid_2eorb_split.F... Compiling wdm_pp_mo_b_a_b.F... Compiling tce_mo2e_offset_intorb_hybrid.F... Compiling wdm_pp_mo_b_b_a.F... tce_mo2e_hybrid_2eorb_split.F:262:11: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_max2' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_hybrid_2eorb_split.F:102:33: 102 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'size_max2' declared here tce_mo2e_hybrid_2eorb_split.F:262:11: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_4af' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_hybrid_2eorb_split.F:97:41: 97 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here Compiling tce_mo2e_2emet3.F... Compiling wdm_pp_mo_b_b_b.F... tce_mo2e_2emet3.F:572:72: 572 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_2emet3.F:76:34: 76 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_mo2e_2emet3_n5.F... Compiling wdm_pp_mo_b_c.F... tce_mo2e_2emet3_n5.F:602:72: 602 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_2emet3_n5.F:76:34: 76 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_mo2e_2emet4.F... Compiling wdm_pp_mo_b_d_a.F... Compiling tce_mo2e_2emet4_n5.F... tce_mo2e_2emet4.F:578:72: 578 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_2emet4.F:82:34: 82 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling wdm_pp_mo_b_d_b.F... Compiling get_hash_block_ma.F... Compiling wdm_pp_mo_b_e_a.F... Compiling ccsd_energy_loc.F... tce_mo2e_2emet4_n5.F:578:72: 578 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_2emet4_n5.F:82:34: 82 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling wdm_pp_mo_b_e_b.F... Compiling cc2_energy.F... Compiling wdm_pp_mo_b_f.F... Compiling ccsd_lambda.F... Compiling tce_grad_tidy.F... Compiling ccsd_lr_alpha.F... Compiling tce_ccsd_1prdm.F... Compiling ccsd_qr_beta.F... Compiling tce_dens_hhhh_offset.F... Compiling tce_dgeev.F... Compiling tce_dens_hhhp_offset.F... tce_dgeev.F:402:72: 402 | WORK( 1 ) = MAXWRK | ^ Warning: 'maxwrk' may be used uninitialized [-Wmaybe-uninitialized] tce_dgeev.F:124:37: 124 | $ MAXB, MAXWRK, MINWRK, NOUT | ^ note: 'maxwrk' was declared here Compiling tce_schmidt.F... Compiling tce_dens_hhpp_offset.F... Compiling tensor_read_write.F... Compiling tce_dens_hphh_offset.F... tensor_read_write.F:129:39: 95 | k = eaf_write(unitn, offset, max_ioprocs, | 2 ...... 129 | k = eaf_write(unitn, offset, dbl_mb(k_aux),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tensor_read_write.F:302:38: 275 | k = eaf_read(unitn, offset, max_ioprocs_r, | 2 ...... 302 | k = eaf_read(unitn, offset, dbl_mb(k_aux),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tce_diis_act.F... Compiling tce_dens_hphp_offset.F... Compiling tce_mo2e_zones_4a_disk_ga_act.F... Compiling tce_dens_hppp_offset.F... Compiling tce_mo2e_zones_4a_disk_ga_chop_act.F... Compiling tce_dens_pphh_offset.F... Compiling tce_t2a_offset.F... Compiling tce_dens_pphp_offset.F... Compiling tce_x2a_offset.F... Compiling tce_dens_pppp_offset.F... tce_mo2e_zones_4a_disk_ga_act.F:738:72: 738 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_act.F:86:34: 86 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling new_ga4ind_N5.F... Compiling tce_zvec_x1_offset.F... tce_mo2e_zones_4a_disk_ga_chop_act.F:753:72: 753 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_chop_act.F:91:34: 91 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling new4ind_N5_osu.F... Compiling tce_2pdm_offset.F... new_ga4ind_N5.F:2049:39: 2049 | call n4ind_transp(buf,dbl_mb(k_work1),nalength, | 1 Warning: Rank mismatch in argument 'k_4a' at (1) (rank-1 and scalar) Compiling tce_mo2e_zones_4a_disk_ga_N5.F... Compiling put_2pdm_hhhh.F... Compiling tce_mo2e_zones_4a_disk_ga_chop_N5.F... Compiling put_2pdm_hhhp.F... Compiling tce_eom_xguess.F... Compiling put_2pdm_hhpp.F... Compiling tce_eom_yguess.F... Compiling put_2pdm_hphh.F... Compiling ma_transpose.F... Compiling put_2pdm_hphp.F... tce_mo2e_zones_4a_disk_ga_N5.F:700:72: 700 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_N5.F:86:34: 86 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here tce_mo2e_zones_4a_disk_ga_chop_N5.F:738:72: 738 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_chop_N5.F:91:34: 91 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling put_2pdm_hppp.F... Compiling put_2pdm_pphh.F... Compiling put_2pdm_pphp.F... Compiling put_2pdm_pppp.F... Compiling tce_1pdm_offset.F... Compiling put_1pdm_hh.F... Compiling put_1pdm_hp.F... Compiling put_1pdm_ph.F... Compiling put_1pdm_ph_2.F... Compiling put_1pdm_pp.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce' Compiling put_1pwdm_hp.F... Compiling ao_tiles.F... Compiling btrans1.F... Compiling ao_1prdm_write.F... Compiling tce_gradients_doit.F... Compiling tce_grad_force.F... tce_grad_force.F:202:63: 200 | if (.not. rtdb_get(rtdb, 'dft:cdfit', mt_log, 1, ocdfit)) | 2 201 | $ ocdfit = .false. 202 | if (.not. rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, xfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling tce_grad1.F... Compiling tce_grad2.F... Compiling sym_2pdm_ao.F... Compiling btrans2.F... Compiling eomccsd_energy.F... Compiling eomccsd_left.F... Compiling eomccsd_gradients.F... Compiling eomccsd_1pdm_hh_mo.F... Compiling eomccsd_1pdm_pp_mo.F... Compiling tce_eomccsd_1prdm.F... Compiling eomccsd_2pdm_hhhh_mo.F... Compiling eomccsd_2pdm_hhhp_mo.F... Compiling eomccsd_2pdm_hhpp_mo.F... Compiling eomccsd_2pdm_hphh_mo.F... Compiling eomccsd_2pdm_hphp_mo.F... Compiling eomccsd_2pdm_hppp_mo.F... Compiling eomccsd_2pdm_pphh_mo.F... Compiling eomccsd_2pdm_pphp_mo.F... Compiling eomccsd_2pdm_pppp_mo.F... Compiling eomccsd_z1.F... Compiling eomccsd_z2.F... Compiling eomccsd_2pdm_pphh_zvec_mo.F... Compiling eomccsd_1pdm_hp_mo.F... Compiling eomccsd_1pdm_ph_mo.F... Compiling eomccsd_x1_grad.F... Compiling eomccsd_x2_grad.F... Compiling tce_eom_xdiagon_grad.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/gradients' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/gradients' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a tce_gradient.o ccsd_energy.o ccsd_left.o ccsd_gradient.o ccsd_1pdm_hh_mo.o ccsd_1pdm_pp_mo.o ccsd_1pdm_hp_mo.o ccsd_1pdm_ph_mo.o ccsd_2pdm_hhhh_mo.o ccsd_2pdm_hhhp_mo.o ccsd_2pdm_hhpp_mo.o ccsd_2pdm_hphh_mo.o ccsd_2pdm_hphp_mo.o ccsd_2pdm_hppp_mo.o ccsd_2pdm_pphh_mo.o ccsd_2pdm_pphp_mo.o ccsd_2pdm_pppp_mo.o zvec_x_a_a.o zvec_x_a_b_a.o zvec_x_a_b_b.o zvec_x_a_c_a.o zvec_x_a_c_b.o zvec_x_a_d.o zvec_x_a_e_a.o zvec_x_a_e_b.o zvec_x_a_f_a.o zvec_x_a_f_b.o zvec_x_b_a_a.o zvec_x_b_a_b.o zvec_x_b_b_a.o zvec_x_b_b_b.o zvec_x_b_c.o zvec_x_b_d_a.o zvec_x_b_d_b.o zvec_x_b_e_a.o zvec_x_b_e_b.o zvec_x_b_f.o zvec_x_c_a.o zvec_x_c_b.o ccsd_zvec.o wdm_hh_mo_a.o wdm_hh_mo_b_a_a.o wdm_hh_mo_b_a_b.o wdm_hh_mo_b_b_a.o wdm_hh_mo_b_b_b.o wdm_hh_mo_c_a.o wdm_hh_mo_c_b_a.o wdm_hh_mo_c_b_b.o wdm_hh_mo_c_c_a.o wdm_hh_mo_c_c_b.o wdm_hh_mo_c_d.o wdm_hh_mo_c_e_a.o wdm_hh_mo_c_e_b.o wdm_hh_mo_c_f_a.o wdm_hh_mo_c_f_b.o wdm_hh_mo_d.o wdm_hp_mo_a.o wdm_hp_mo_b_a_a.o wdm_hp_mo_b_a_b.o wdm_hp_mo_b_b_a.o wdm_hp_mo_b_b_b.o wdm_hp_mo_b_c.o wdm_hp_mo_b_d_a.o wdm_hp_mo_b_d_b.o wdm_hp_mo_b_e_a.o wdm_hp_mo_b_e_b.o wdm_hp_mo_b_f.o wdm_hp_mo_c.o wdm_pp_mo_a.o wdm_pp_mo_b_a_a.o wdm_pp_mo_b_a_b.o wdm_pp_mo_b_b_a.o wdm_pp_mo_b_b_b.o wdm_pp_mo_b_c.o wdm_pp_mo_b_d_a.o wdm_pp_mo_b_d_b.o wdm_pp_mo_b_e_a.o wdm_pp_mo_b_e_b.o wdm_pp_mo_b_f.o tce_grad_tidy.o tce_ccsd_1prdm.o tce_dens_hhhh_offset.o tce_dens_hhhp_offset.o tce_dens_hhpp_offset.o tce_dens_hphh_offset.o tce_dens_hphp_offset.o tce_dens_hppp_offset.o tce_dens_pphh_offset.o tce_dens_pphp_offset.o tce_dens_pppp_offset.o tce_zvec_x1_offset.o tce_2pdm_offset.o put_2pdm_hhhh.o put_2pdm_hhhp.o put_2pdm_hhpp.o put_2pdm_hphh.o put_2pdm_hphp.o put_2pdm_hppp.o put_2pdm_pphh.o put_2pdm_pphp.o put_2pdm_pppp.o tce_1pdm_offset.o put_1pdm_hh.o put_1pdm_hp.o put_1pdm_ph.o put_1pdm_ph_2.o put_1pdm_pp.o put_1pwdm_hp.o ao_tiles.o btrans1.o ao_1prdm_write.o tce_gradients_doit.o tce_grad_force.o tce_grad1.o tce_grad2.o sym_2pdm_ao.o btrans2.o eomccsd_energy.o eomccsd_left.o eomccsd_gradients.o eomccsd_1pdm_hh_mo.o eomccsd_1pdm_pp_mo.o tce_eomccsd_1prdm.o eomccsd_2pdm_hhhh_mo.o eomccsd_2pdm_hhhp_mo.o eomccsd_2pdm_hhpp_mo.o eomccsd_2pdm_hphh_mo.o eomccsd_2pdm_hphp_mo.o eomccsd_2pdm_hppp_mo.o eomccsd_2pdm_pphh_mo.o eomccsd_2pdm_pphp_mo.o eomccsd_2pdm_pppp_mo.o eomccsd_z1.o eomccsd_z2.o eomccsd_2pdm_pphh_zvec_mo.o eomccsd_1pdm_hp_mo.o eomccsd_1pdm_ph_mo.o eomccsd_x1_grad.o eomccsd_x2_grad.o tce_eom_xdiagon_grad.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/gradients' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/gradients' Making all in ccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd' Compiling ccsd_e.F... Compiling ccsd_t1.F... Compiling ccsd_t2.F... Compiling cc2_t1.F... Compiling cc2_t2.F... Compiling ccsd_1prdm.F... Compiling ccsd_1prdm_hh.F... Compiling ccsd_1prdm_hp.F... Compiling ccsd_1prdm_ph.F... Compiling ccsd_1prdm_pp.F... Compiling icsd_t1.F... Compiling icsd_t2.F... Compiling ccsd_kernels.F... Compiling ccsd_t2_8.F... Compiling tce_1b_dens_print.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a ccsd_e.o ccsd_t1.o ccsd_t2.o cc2_t1.o cc2_t2.o ccsd_1prdm.o ccsd_1prdm_hh.o ccsd_1prdm_hp.o ccsd_1prdm_ph.o ccsd_1prdm_pp.o icsd_t1.o icsd_t2.o ccsd_kernels.o ccsd_t2_8.o tce_1b_dens_print.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd' Making all in ccsd_lambda make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_lambda' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_lambda' Compiling ccsd_lambda1_1.F... Compiling ccsd_lambda1_2.F... Compiling ccsd_lambda2.F... Compiling ccsd_density1.F... Compiling ccsd_lambda1_mod.F... ccsd_lambda1_mod.F:5436:72: 5436 | &+nvab) * (h6b_2 - 1))))) | 1 Warning: Missing actual argument for argument '_formal_44' at (1) make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_lambda' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_lambda' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a ccsd_lambda1_1.o ccsd_lambda1_2.o ccsd_lambda2.o ccsd_density1.o ccsd_lambda1_mod.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_lambda' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_lambda' Making all in eomccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsd' Compiling eomccsd_x1.F... Compiling eomccsd_x2.F... Compiling eomccsd_y1.F... Compiling eomccsd_y2.F... Compiling eomccsd_density1.F... Compiling eomccsd_denominator.F... Compiling cc2_x1.F... Compiling cc2_x2.F... Compiling eomccsd_1prdm.F... Compiling eomccsd_1prdm_hh.F... Compiling eomccsd_1prdm_hp.F... Compiling eomccsd_1prdm_ph.F... Compiling eomccsd_1prdm_pp.F... Compiling eomccsd_x1_old.F... Compiling eomccsd_x2_old.F... Compiling eomicsd_x1.F... Compiling eomicsd_x2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a eomccsd_x1.o eomccsd_x2.o eomccsd_y1.o eomccsd_y2.o eomccsd_density1.o eomccsd_denominator.o cc2_x1.o cc2_x2.o eomccsd_1prdm.o eomccsd_1prdm_hh.o eomccsd_1prdm_hp.o eomccsd_1prdm_ph.o eomccsd_1prdm_pp.o eomccsd_x1_old.o eomccsd_x2_old.o eomicsd_x1.o eomicsd_x2.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsd' Making all in ccsd_t make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_t' Compiling cr_ccsd_t.F... cr_ccsd_t.F:79:72: 79 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_ccsd_t.F:33:21: 33 | integer k_right,l_right | ^ note: 'k_right' declared here cr_ccsd_t.F:82:72: 82 | 2 l_i1_offset_3,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den' is used uninitialized [-Wuninitialized] cr_ccsd_t.F:32:19: 32 | integer k_den,l_den | ^ note: 'k_den' declared here Compiling lr_ccsd_t.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_t' Compiling ccsd_t.F... Compiling ccsd_t_doubles.F... Compiling ccsd_t_singles.F... Compiling lambda_ccsd_t.F... Compiling lambda_ccsd_t_left.F... Compiling ccsd_t_doubles_l.F... Compiling ccsd_t_singles_l.F... Compiling ccsd2_t.F... ccsd2_t.F:75:72: 75 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] ccsd2_t.F:35:21: 35 | integer k_right,l_right | ^ note: 'k_right' declared here ccsd2_t.F:80:72: 80 | 4 l_i1_offset_5,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] ccsd2_t.F:36:20: 36 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling ccsd2_t_left.F... Compiling ccsd2_q.F... ccsd2_q.F:55:72: 55 | 4 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] ccsd2_q.F:32:21: 32 | integer k_right,l_right | ^ note: 'k_right' declared here ccsd2_q.F:58:72: 58 | 2 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] ccsd2_q.F:33:20: 33 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling ccsd2_q_left.F... Compiling ccsd2_q_right.F... Compiling ccsdt2_q.F... ccsdt2_q.F:77:72: 77 | 7 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] ccsdt2_q.F:42:21: 42 | integer k_right,l_right | ^ note: 'k_right' declared here Compiling ccsdt2_q_left.F... ccsdt2_q.F:83:72: 83 | 5 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] ccsdt2_q.F:43:20: 43 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling ccsdt2_q_right.F... Compiling cr_ccsd_t_D.F... Compiling cr_ccsd_t_E.F... Compiling cr_ccsd_t_N.F... Compiling lr_ccsd_tq.F... Compiling cr_qcisd_t.F... Compiling m2_dot_m1t1.F... Compiling ccsd_t_restart.F... ccsd_t_restart.F:82:21: 59 | 1 ccsd_t_restart_begin)) then | 2 ...... 82 | 1 size_table,dbl_mb(k_triples_table))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ccsd_t_restart.F:87:23: 62 | 1 ccsd_t_restart_begin)) then | 2 ...... 87 | 1 size_table,dbl_mb(k_triples_table))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cr_qcisd_t.F:260:72: 260 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right_3' is used uninitialized [-Wuninitialized] cr_qcisd_t.F:221:23: 221 | integer k_right_3,l_right_3 | ^ note: 'k_right_3' declared here cr_qcisd_t.F:263:72: 263 | 2 l_i1_offset_3,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_denom' is used uninitialized [-Wuninitialized] cr_qcisd_t.F:222:21: 222 | integer k_denom,l_denom | ^ note: 'k_denom' declared here Compiling ccsd_t_6dts.F... Compiling ccsd_t_singles_l_6dts.F... Compiling ccsd_t_doubles_l_6dts.F... Compiling ccsd_t_dts_kernels_omp.F... Compiling ccsd_t_transpose.F... Compiling offl_ccsd_t_doubles_l.F... Compiling ccsd_t_kernels_omp.F... Compiling tce_hashnsort.F... Compiling ccsd_t_pstat.F... Compiling ccsd_t_dot.F... Compiling ccsd_t_neword.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_t' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_t' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a cr_ccsd_t.o lr_ccsd_t.o ccsd_t.o ccsd_t_doubles.o ccsd_t_singles.o lambda_ccsd_t.o lambda_ccsd_t_left.o ccsd_t_doubles_l.o ccsd_t_singles_l.o ccsd2_t.o ccsd2_t_left.o ccsd2_q.o ccsd2_q_left.o ccsd2_q_right.o ccsdt2_q.o ccsdt2_q_left.o ccsdt2_q_right.o cr_ccsd_t_D.o cr_ccsd_t_E.o cr_ccsd_t_N.o lr_ccsd_tq.o cr_qcisd_t.o m2_dot_m1t1.o ccsd_t_restart.o ccsd_t_6dts.o ccsd_t_singles_l_6dts.o ccsd_t_doubles_l_6dts.o ccsd_t_dts_kernels_omp.o ccsd_t_transpose.o offl_ccsd_t_doubles_l.o ccsd_t_kernels_omp.o tce_hashnsort.o ccsd_t_pstat.o ccsd_t_dot.o ccsd_t_neword.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_t' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_t' Making all in cr-eomccsd_t make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cr-eomccsd_t' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cr-eomccsd_t' Compiling c1_c1.F... Compiling c2_c2.F... Compiling cr_eomccsd_t.F... cr_eomccsd_t.F:265:72: 265 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t.F:83:21: 83 | integer k_right,l_right !r0*M3(T1,T2) | ^ note: 'k_right' declared here cr_eomccsd_t.F:279:72: 279 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t.F:85:20: 85 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling cr_eomccsd_t_gr.F... cr_eomccsd_t_gr.F:143:72: 143 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right1' is used uninitialized [-Wuninitialized] cr_eomccsd_t_gr.F:64:22: 64 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here cr_eomccsd_t_gr.F:153:72: 153 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den0' is used uninitialized [-Wuninitialized] cr_eomccsd_t_gr.F:66:20: 66 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here Compiling t2t12.F... Compiling nr0.F... Compiling c1excit2.F... Compiling c2excit2.F... Compiling q3rexpt2.F... Compiling cr_s_m3.F... Compiling cr_eomccsd_t_n2.F... Compiling cr_eomccsd_t_n2_1.F... Compiling cr_eomccsd_t_n2_1_1.F... Compiling offset_cr_eomccsd_t_n2_1_1.F... Compiling cr_eomccsd_t_n2_1_1_1.F... Compiling offset_cr_eomccsd_t_n2_1_1_1.F... Compiling cr_eomccsd_t_n2_1_1_2.F... Compiling cr_eomccsd_t_n2_1_1_2_1.F... Compiling offset_cr_eomccsd_t_n2_1_1_2_1.F... Compiling cr_eomccsd_t_n2_1_1_2_2.F... Compiling cr_eomccsd_t_n2_1_1_3.F... Compiling cr_eomccsd_t_n2_1_2.F... Compiling cr_eomccsd_t_n2_1_3.F... Compiling cr_eomccsd_t_n2_1_3_1.F... Compiling offset_cr_eomccsd_t_n2_1_3_1.F... Compiling cr_eomccsd_t_n2_1_3_2.F... Compiling cr_eomccsd_t_n2_1_3_2_1.F... Compiling offset_cr_eomccsd_t_n2_1_3_2_1.F... Compiling cr_eomccsd_t_n2_1_3_3.F... Compiling cr_eomccsd_t_n2_1_4.F... Compiling cr_eomccsd_t_n2_1_4_1.F... Compiling offset_cr_eomccsd_t_n2_1_4_1.F... Compiling cr_eomccsd_t_n2_1_5.F... Compiling cr_eomccsd_t_n2_1_5_1.F... Compiling offset_cr_eomccsd_t_n2_1_5_1.F... Compiling cr_eomccsd_t_n2_1_6.F... Compiling cr_eomccsd_t_n2_1_6_1.F... Compiling offset_cr_eomccsd_t_n2_1_6_1.F... Compiling cr_eomccsd_t_n2_1_7.F... Compiling cr_eomccsd_t_n2_1_7_1.F... Compiling offset_cr_eomccsd_t_n2_1_7_1.F... Compiling cr_eomccsd_t_n2_1_7_2.F... Compiling cr_eomccsd_t_n2_1_8.F... Compiling cr_eomccsd_t_n2_1_8_1.F... Compiling offset_cr_eomccsd_t_n2_1_8_1.F... Compiling cr_eomccsd_t_n2_1_8_2.F... Compiling cr_eomccsd_t_n2_1_9.F... Compiling cr_eomccsd_t_n2_2.F... Compiling cr_eomccsd_t_n2_2_1.F... Compiling offset_cr_eomccsd_t_n2_2_1.F... Compiling cr_eomccsd_t_n2_2_1_1.F... Compiling offset_cr_eomccsd_t_n2_2_1_1.F... Compiling cr_eomccsd_t_n2_2_1_2.F... Compiling cr_eomccsd_t_n2_2_1_3.F... Compiling cr_eomccsd_t_n2_2_1_4.F... Compiling cr_eomccsd_t_n2_3.F... Compiling cr_eomccsd_t_n2_3_1.F... Compiling offset_cr_eomccsd_t_n2_3_1.F... Compiling cr_eomccsd_t_n2_3_2.F... Compiling cr_eomccsd_t_n2_3_2_1.F... Compiling offset_cr_eomccsd_t_n2_3_2_1.F... Compiling cr_eomccsd_t_n2_3_3.F... Compiling cr_eomccsd_t_n2_3_3_1.F... Compiling offset_cr_eomccsd_t_n2_3_3_1.F... Compiling cr_eomccsd_t_n2_3_3_2.F... Compiling cr_eomccsd_t_n2_3_4.F... Compiling cr_eomccsd_t_n2_4.F... Compiling cr_eomccsd_t_n2_4_1.F... Compiling offset_cr_eomccsd_t_n2_4_1.F... Compiling cr_eomccsd_t_n2_4_1_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_1.F... Compiling cr_eomccsd_t_n2_4_1_2.F... Compiling cr_eomccsd_t_n2_4_1_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_2_1.F... Compiling cr_eomccsd_t_n2_4_1_3.F... Compiling cr_eomccsd_t_n2_4_1_3_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_3_1.F... Compiling cr_eomccsd_t_n2_4_1_4.F... Compiling cr_eomccsd_t_n2_4_2.F... Compiling cr_eomccsd_t_n2_4_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_2_1.F... Compiling cr_eomccsd_t_n2_4_2_2.F... Compiling cr_eomccsd_t_n2_4_2_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_2_2_1.F... Compiling cr_eomccsd_t_n2_4_2_2_2.F... Compiling cr_eomccsd_t_n2_4_2_3.F... Compiling cr_eomccsd_t_n2_4_2_4.F... Compiling cr_eomccsd_t_n2_5.F... Compiling cr_eomccsd_t_n2_5_1.F... Compiling offset_cr_eomccsd_t_n2_5_1.F... Compiling cr_eomccsd_t_n2_5_2.F... Compiling cr_eomccsd_t_n2_5_2_1.F... Compiling offset_cr_eomccsd_t_n2_5_2_1.F... Compiling cr_eomccsd_t_n2_5_2_2.F... Compiling cr_eomccsd_t_n2_5_2_2_1.F... Compiling offset_cr_eomccsd_t_n2_5_2_2_1.F... Compiling cr_eomccsd_t_n2_5_2_2_2.F... Compiling cr_eomccsd_t_n2_5_2_3.F... Compiling cr_eomccsd_t_n2_5_3.F... Compiling cr_eomccsd_t_n2_5_3_1.F... Compiling offset_cr_eomccsd_t_n2_5_3_1.F... Compiling cr_eomccsd_t_n2_5_3_2.F... Compiling cr_eomccsd_t_n2_5_4.F... Compiling cr_eomccsd_t_n2_5_4_1.F... Compiling offset_cr_eomccsd_t_n2_5_4_1.F... Compiling cr_eomccsd_t_n2_5_4_2.F... Compiling cr_eomccsd_t_n2_5_5.F... Compiling cr_eomccsd_t_n2_5_5_1.F... Compiling offset_cr_eomccsd_t_n2_5_5_1.F... Compiling cr_eomccsd_t_n2_5_5_2.F... Compiling cr_eomccsd_t_n2_5_6.F... Compiling cr_eomccsd_t_n2_6.F... Compiling cr_eomccsd_t_n2_6_1.F... Compiling offset_cr_eomccsd_t_n2_6_1.F... Compiling cr_eomccsd_t_n2_6_2.F... Compiling cr_eomccsd_t_n2_6_3.F... Compiling cr_eomccsd_t_n2_6_3_1.F... Compiling offset_cr_eomccsd_t_n2_6_3_1.F... Compiling cr_eomccsd_t_n2_6_3_2.F... Compiling cr_eomccsd_t_n2_6_4.F... Compiling creomccsd_t_n2_mem.F... Compiling q3rexpt2_6dts.F... Compiling creomccsd_t_n2_mem_6dts.F... Compiling cr_eomccsd_t_6dts.F... cr_eomccsd_t_6dts.F:280:72: 280 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts.F:95:21: 95 | integer k_right,l_right !r0*M3(T1,T2) | ^ note: 'k_right' declared here cr_eomccsd_t_6dts.F:294:72: 294 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts.F:97:20: 97 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling cr_ccsd_t_N_6dts.F... Compiling cr_ccsd_t_E_6dts.F... Compiling cr_eomccsd_t_6dts_d4d5_parallel.F... cr_eomccsd_t_6dts_d4d5_parallel.F:276:72: 276 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts_d4d5_parallel.F:91:21: 91 | integer k_right,l_right !r0*M3(T1,T2) | ^ note: 'k_right' declared here cr_eomccsd_t_6dts_d4d5_parallel.F:290:72: 290 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts_d4d5_parallel.F:93:20: 93 | integer k_left,l_left | ^ note: 'k_left' declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cr-eomccsd_t' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cr-eomccsd_t' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a c1_c1.o c2_c2.o cr_eomccsd_t.o cr_eomccsd_t_gr.o t2t12.o nr0.o c1excit2.o c2excit2.o q3rexpt2.o cr_s_m3.o cr_eomccsd_t_n2.o cr_eomccsd_t_n2_1.o cr_eomccsd_t_n2_1_1.o offset_cr_eomccsd_t_n2_1_1.o cr_eomccsd_t_n2_1_1_1.o offset_cr_eomccsd_t_n2_1_1_1.o cr_eomccsd_t_n2_1_1_2.o cr_eomccsd_t_n2_1_1_2_1.o offset_cr_eomccsd_t_n2_1_1_2_1.o cr_eomccsd_t_n2_1_1_2_2.o cr_eomccsd_t_n2_1_1_3.o cr_eomccsd_t_n2_1_2.o cr_eomccsd_t_n2_1_3.o cr_eomccsd_t_n2_1_3_1.o offset_cr_eomccsd_t_n2_1_3_1.o cr_eomccsd_t_n2_1_3_2.o cr_eomccsd_t_n2_1_3_2_1.o offset_cr_eomccsd_t_n2_1_3_2_1.o cr_eomccsd_t_n2_1_3_3.o cr_eomccsd_t_n2_1_4.o cr_eomccsd_t_n2_1_4_1.o offset_cr_eomccsd_t_n2_1_4_1.o cr_eomccsd_t_n2_1_5.o cr_eomccsd_t_n2_1_5_1.o offset_cr_eomccsd_t_n2_1_5_1.o cr_eomccsd_t_n2_1_6.o cr_eomccsd_t_n2_1_6_1.o offset_cr_eomccsd_t_n2_1_6_1.o cr_eomccsd_t_n2_1_7.o cr_eomccsd_t_n2_1_7_1.o offset_cr_eomccsd_t_n2_1_7_1.o cr_eomccsd_t_n2_1_7_2.o cr_eomccsd_t_n2_1_8.o cr_eomccsd_t_n2_1_8_1.o offset_cr_eomccsd_t_n2_1_8_1.o cr_eomccsd_t_n2_1_8_2.o cr_eomccsd_t_n2_1_9.o cr_eomccsd_t_n2_2.o cr_eomccsd_t_n2_2_1.o offset_cr_eomccsd_t_n2_2_1.o cr_eomccsd_t_n2_2_1_1.o offset_cr_eomccsd_t_n2_2_1_1.o cr_eomccsd_t_n2_2_1_2.o cr_eomccsd_t_n2_2_1_3.o cr_eomccsd_t_n2_2_1_4.o cr_eomccsd_t_n2_3.o cr_eomccsd_t_n2_3_1.o offset_cr_eomccsd_t_n2_3_1.o cr_eomccsd_t_n2_3_2.o cr_eomccsd_t_n2_3_2_1.o offset_cr_eomccsd_t_n2_3_2_1.o cr_eomccsd_t_n2_3_3.o cr_eomccsd_t_n2_3_3_1.o offset_cr_eomccsd_t_n2_3_3_1.o cr_eomccsd_t_n2_3_3_2.o cr_eomccsd_t_n2_3_4.o cr_eomccsd_t_n2_4.o cr_eomccsd_t_n2_4_1.o offset_cr_eomccsd_t_n2_4_1.o cr_eomccsd_t_n2_4_1_1.o offset_cr_eomccsd_t_n2_4_1_1.o cr_eomccsd_t_n2_4_1_2.o cr_eomccsd_t_n2_4_1_2_1.o offset_cr_eomccsd_t_n2_4_1_2_1.o cr_eomccsd_t_n2_4_1_3.o cr_eomccsd_t_n2_4_1_3_1.o offset_cr_eomccsd_t_n2_4_1_3_1.o cr_eomccsd_t_n2_4_1_4.o cr_eomccsd_t_n2_4_2.o cr_eomccsd_t_n2_4_2_1.o offset_cr_eomccsd_t_n2_4_2_1.o cr_eomccsd_t_n2_4_2_2.o cr_eomccsd_t_n2_4_2_2_1.o offset_cr_eomccsd_t_n2_4_2_2_1.o cr_eomccsd_t_n2_4_2_2_2.o cr_eomccsd_t_n2_4_2_3.o cr_eomccsd_t_n2_4_2_4.o cr_eomccsd_t_n2_5.o cr_eomccsd_t_n2_5_1.o offset_cr_eomccsd_t_n2_5_1.o cr_eomccsd_t_n2_5_2.o cr_eomccsd_t_n2_5_2_1.o offset_cr_eomccsd_t_n2_5_2_1.o cr_eomccsd_t_n2_5_2_2.o cr_eomccsd_t_n2_5_2_2_1.o offset_cr_eomccsd_t_n2_5_2_2_1.o cr_eomccsd_t_n2_5_2_2_2.o cr_eomccsd_t_n2_5_2_3.o cr_eomccsd_t_n2_5_3.o cr_eomccsd_t_n2_5_3_1.o offset_cr_eomccsd_t_n2_5_3_1.o cr_eomccsd_t_n2_5_3_2.o cr_eomccsd_t_n2_5_4.o cr_eomccsd_t_n2_5_4_1.o offset_cr_eomccsd_t_n2_5_4_1.o cr_eomccsd_t_n2_5_4_2.o cr_eomccsd_t_n2_5_5.o cr_eomccsd_t_n2_5_5_1.o offset_cr_eomccsd_t_n2_5_5_1.o cr_eomccsd_t_n2_5_5_2.o cr_eomccsd_t_n2_5_6.o cr_eomccsd_t_n2_6.o cr_eomccsd_t_n2_6_1.o offset_cr_eomccsd_t_n2_6_1.o cr_eomccsd_t_n2_6_2.o cr_eomccsd_t_n2_6_3.o cr_eomccsd_t_n2_6_3_1.o offset_cr_eomccsd_t_n2_6_3_1.o cr_eomccsd_t_n2_6_3_2.o cr_eomccsd_t_n2_6_4.o creomccsd_t_n2_mem.o q3rexpt2_6dts.o creomccsd_t_n2_mem_6dts.o cr_eomccsd_t_6dts.o cr_ccsd_t_N_6dts.o cr_ccsd_t_E_6dts.o cr_eomccsd_t_6dts_d4d5_parallel.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cr-eomccsd_t' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cr-eomccsd_t' Making all in lrh make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lrh' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lrh' Compiling tce_loc_j1.F... Compiling tce_loc_j2.F... tce_loc_j2.F:104:72: 104 | ih4alpha=int_mb(k_offset+h4alpha-1)+h4 | ^ Warning: 'h4alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:49:21: 49 | integer h4alpha | ^ note: 'h4alpha' was declared here tce_loc_j2.F:103:72: 103 | ip2alpha=int_mb(k_offset+p2alpha-1)+p2 | ^ Warning: 'p2alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:48:21: 48 | integer p2alpha | ^ note: 'p2alpha' was declared here tce_loc_j2.F:102:43: 102 | if(restricted.and.(spin_sum.eq.6)) then | ^ Warning: 'spin_sum' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:47:22: 47 | integer spin_sum,spin_suml | ^ note: 'spin_sum' was declared here tce_loc_j2.F:159:41: 159 | 1 (ih4alpha.eq.iha3).or.(ih4alpha.eq.iha4)) THEN | ^ Warning: 'ih4alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:51:22: 51 | integer ih4alpha | ^ note: 'ih4alpha' was declared here tce_loc_j2.F:159:41: 159 | 1 (ih4alpha.eq.iha3).or.(ih4alpha.eq.iha4)) THEN | ^ Warning: 'ip2alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:50:22: 50 | integer ip2alpha | ^ note: 'ip2alpha' was declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lrh' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lrh' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a tce_loc_j1.o tce_loc_j2.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lrh' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lrh' Making all in emb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/emb' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/emb' Compiling c1v.F... Compiling c2vt1_s.F... Compiling emb1.F... emb1.F:288:72: 288 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right1' may be used uninitialized [-Wmaybe-uninitialized] emb1.F:80:22: 80 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here emb1.F:303:72: 303 | &l_i2_offset_3,l_i2_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right2' is used uninitialized [-Wuninitialized] emb1.F:81:22: 81 | integer k_right2,l_right2 !M3(T1,T2,X1,X2) | ^ note: 'k_right2' declared here emb1.F:312:72: 312 | &l_i3_offset_1,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den' is used uninitialized [-Wuninitialized] emb1.F:79:19: 79 | integer k_den,l_den | ^ note: 'k_den' declared here emb1.F:308:72: 308 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den0' may be used uninitialized [-Wmaybe-uninitialized] emb1.F:89:20: 89 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here emb1.F:321:72: 321 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c2vs' is used uninitialized [-Wuninitialized] emb1.F:126:20: 126 | integer k_c2vs,k_c2ve,k_c2fs,k_c2fe | ^ note: 'k_c2vs' declared here emb1.F:336:72: 336 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c1v' is used uninitialized [-Wuninitialized] emb1.F:128:25: 128 | integer l_c1v,k_c1v | ^ note: 'k_c1v' declared here Compiling emb2.F... emb2.F:295:72: 295 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right1' may be used uninitialized [-Wmaybe-uninitialized] emb2.F:82:22: 82 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here emb2.F:308:72: 308 | &t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right2' is used uninitialized [-Wuninitialized] emb2.F:83:22: 83 | integer k_right2,l_right2 !M3(T1,T2,X1,X2) | ^ note: 'k_right2' declared here emb2.F:317:72: 317 | &l_i3_offset_1,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den' is used uninitialized [-Wuninitialized] emb2.F:81:19: 81 | integer k_den,l_den | ^ note: 'k_den' declared here emb2.F:313:72: 313 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den0' may be used uninitialized [-Wmaybe-uninitialized] emb2.F:92:20: 92 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here emb2.F:326:72: 326 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c2vs' is used uninitialized [-Wuninitialized] emb2.F:129:20: 129 | integer k_c2vs,k_c2ve,k_c2fs,k_c2fe | ^ note: 'k_c2vs' declared here emb2.F:341:72: 341 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c1v' is used uninitialized [-Wuninitialized] emb2.F:131:25: 131 | integer l_c1v,k_c1v | ^ note: 'k_c1v' declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/emb' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/emb' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a c1v.o c2vt1_s.o emb1.o emb2.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/emb' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/emb' Making all in ccd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccd' Compiling ccd_e.F... Compiling ccd_t2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a ccd_e.o ccd_t2.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccd' Making all in lccd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lccd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lccd' Compiling lccd_e.F... Compiling lccd_t2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lccd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lccd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a lccd_e.o lccd_t2.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lccd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lccd' Making all in lccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lccsd' Compiling lccsd_e.F... Compiling lccsd_t1.F... Compiling lccsd_t2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lccsd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a lccsd_e.o lccsd_t1.o lccsd_t2.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lccsd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lccsd' Making all in qcisd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/qcisd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/qcisd' Compiling qcisd_e.F... Compiling qcisd_t1.F... Compiling qcisd_t2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/qcisd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/qcisd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a qcisd_e.o qcisd_t1.o qcisd_t2.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/qcisd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/qcisd' Making all in cc3 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cc3' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cc3' Compiling cc3_t3.F... Compiling ccsdt1b_t3.F... Compiling ccsdt2_t3.F... Compiling ccsdt3_t3.F... Compiling eomccsdt1_x3.F... Compiling eomcc3_x3.F... Compiling eomccsdt3_x3.F... Compiling cc3_lambda3.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cc3' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cc3' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a cc3_t3.o ccsdt1b_t3.o ccsdt2_t3.o ccsdt3_t3.o eomccsdt1_x3.o eomcc3_x3.o eomccsdt3_x3.o cc3_lambda3.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cc3' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cc3' Making all in mbpt1 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt1' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt1' Compiling mbpt1_t1.F... Compiling mbpt1_t2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt1' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt1' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a mbpt1_t1.o mbpt1_t2.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt1' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt1' Making all in mbpt2 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt2' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt2' Compiling mbpt2_e.F... Compiling mbpt2_t1.F... Compiling mbpt2_t2.F... Compiling mbpt2_t2_b.F... Compiling mbpt2_t3.F... Compiling mbpt2_t1_sd.F... Compiling mbpt2_t2_sd.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt2' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt2' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a mbpt2_e.o mbpt2_t1.o mbpt2_t2.o mbpt2_t2_b.o mbpt2_t3.o mbpt2_t1_sd.o mbpt2_t2_sd.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt2' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt2' Making all in mbpt3 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt3' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt3' Compiling mbpt3_e.F... Compiling mbpt3_t1.F... Compiling mbpt3_t2.F... Compiling mbpt3_t1_sd.F... Compiling mbpt3_t2_sd.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt3' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt3' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a mbpt3_e.o mbpt3_t1.o mbpt3_t2.o mbpt3_t1_sd.o mbpt3_t2_sd.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt3' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt3' Making all in mbpt4 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt4' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt4' Compiling mbpt4_e.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt4' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt4' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a mbpt4_e.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt4' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt4' Making all in cis make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cis' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cis' Compiling cis.F... Compiling cis_x1.F... Compiling cis_xdiagon.F... Compiling cis_xtidy.F... Compiling cis_xguess.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cis' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cis' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a cis.o cis_x1.o cis_xdiagon.o cis_xtidy.o cis_xguess.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cis' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cis' Making all in cisd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisd' Compiling cisd_e.F... Compiling cisd_c1.F... Compiling cisd_c2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a cisd_e.o cisd_c1.o cisd_c2.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisd' Making all in cisdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisdt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisdt' Compiling cisdt_e.F... Compiling cisdt_c1.F... Compiling cisdt_c2.F... Compiling cisdt_c3.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisdt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisdt' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a cisdt_e.o cisdt_c1.o cisdt_c2.o cisdt_c3.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisdt' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisdt' Making all in cisdtq make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisdtq' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisdtq' Compiling cisdtq_e.F... Compiling cisdtq_c1.F... Compiling cisdtq_c2.F... Compiling cisdtq_c3.F... Compiling cisdtq_c4.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisdtq' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisdtq' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a cisdtq_e.o cisdtq_c1.o cisdtq_c2.o cisdtq_c3.o cisdtq_c4.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisdtq' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisdtq' Making all in ccsd_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_act' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_act' Compiling ccsd_ea.F... Compiling ccsd_t1a.F... Compiling ccsd_t2a.F... Compiling activity.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_act' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_act' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a ccsd_ea.o ccsd_t1a.o ccsd_t2a.o activity.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_act' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_act' Making all in eomccsd_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsd_act' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsd_act' Compiling eomccsd_x1a.F... Compiling eomccsd_x2a.F... Compiling q2na_hc1.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsd_act' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsd_act' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a eomccsd_x1a.o eomccsd_x2a.o q2na_hc1.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsd_act' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsd_act' Making all in cr_eomccsd_t_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cr_eomccsd_t_act' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cr_eomccsd_t_act' Compiling cr_ccsd_t_E_act.F... Compiling cr_eomccsd_t_act.F... Compiling q3rexpt2_act.F... cr_eomccsd_t_act.F:253:72: 253 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t_act.F:84:21: 84 | integer k_right,l_right | ^ note: 'k_right' declared here cr_eomccsd_t_act.F:267:72: 267 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t_act.F:86:20: 86 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling cr_ccsd_t_N_act.F... Compiling creomccsd_t_n2_act_mem.F... Compiling cr_eomccsd_tasim.F... cr_eomccsd_tasim.F:261:72: 261 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_tasim.F:84:21: 84 | integer k_right,l_right | ^ note: 'k_right' declared here cr_eomccsd_tasim.F:267:72: 267 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_tasim.F:86:20: 86 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling cr_eomt_simac.F... Compiling ccsd_t_d_act.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cr_eomccsd_t_act' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cr_eomccsd_t_act' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a cr_ccsd_t_E_act.o cr_eomccsd_t_act.o q3rexpt2_act.o cr_ccsd_t_N_act.o creomccsd_t_n2_act_mem.o cr_eomccsd_tasim.o cr_eomt_simac.o ccsd_t_d_act.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cr_eomccsd_t_act' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cr_eomccsd_t_act' Making all in sort make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/sort' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/sort' Compiling tce_sort_4kg.c... Compiling tce_sort0.F... Compiling tce_sortacc0.f... Compiling new_sort2.F... Compiling new_sort4.F... Compiling new_sort6.F... Compiling tce_sort8.F... Compiling tce_sortacc8.F... Compiling tce_sort1.f... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/sort' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/sort' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a tce_sort_4kg.o tce_sort0.o tce_sortacc0.o new_sort2.o new_sort4.o new_sort6.o tce_sort8.o tce_sortacc8.o tce_sort1.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/sort' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/sort' Making all in ducc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ducc' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ducc' gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.2/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT map_hcore.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.2/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT rot_vir.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.2/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT ducc.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.2/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hh.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.2/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hp.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.2/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT pp.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.2/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hhhh.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.2/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT pppp.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.2/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hhhp.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.2/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT ppph.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.2/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hhpp.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.2/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hphp.F make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ducc' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ducc' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a map_hcore.o rot_vir.o ducc.o hh.o hp.o pp.o hhhh.o pppp.o hhhp.o ppph.o hhpp.o hphp.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ducc' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ducc' Making all in ucc4 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ucc4' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ucc4' Compiling ucc4_e_new.F... Compiling ucc4_t1_new.F... Compiling ucc4_t2.F... Compiling ucc4_t2_t2_v_t.F... Compiling ucc4_t3.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ucc4' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ucc4' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a ucc4_e_new.o ucc4_t1_new.o ucc4_t2.o ucc4_t2_t2_v_t.o ucc4_t3.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ucc4' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ucc4' Making all in eaccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eaccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eaccsd' Compiling eaccsd_x1.F... Compiling eaccsd_x2.F... Compiling tce_print_eax1.F... Compiling tce_print_eax2.F... Compiling tce_eax1_offset.F... Compiling tce_eax2_offset.F... Compiling tce_eom_eaxguess.F... Compiling tce_jacobi_eax1.F... Compiling tce_jacobi_eax2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eaccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eaccsd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a eaccsd_x1.o eaccsd_x2.o tce_print_eax1.o tce_print_eax2.o tce_eax1_offset.o tce_eax2_offset.o tce_eom_eaxguess.o tce_jacobi_eax1.o tce_jacobi_eax2.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eaccsd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eaccsd' Making all in ipccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ipccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ipccsd' Compiling ipccsd_x1.F... Compiling ipccsd_x2.F... Compiling tce_print_ipx1.F... Compiling tce_print_ipx2.F... Compiling tce_ipx1_offset.F... Compiling tce_ipx2_offset.F... Compiling tce_eom_ipxguess.F... Compiling tce_jacobi_ipx1.F... Compiling tce_jacobi_ipx2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ipccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ipccsd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a ipccsd_x1.o ipccsd_x2.o tce_print_ipx1.o tce_print_ipx2.o tce_ipx1_offset.o tce_ipx2_offset.o tce_eom_ipxguess.o tce_jacobi_ipx1.o tce_jacobi_ipx2.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ipccsd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ipccsd' Making all in ccsdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsdt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsdt' Compiling ccsdt_e.F... Compiling ccsdt_t1.F... Compiling ccsdt_t2.F... Compiling ccsdt_t3.F... Compiling ccsdt_t1a.F... Compiling ccsdt_t2a.F... Compiling ccsdt_t3a.F... Compiling ccsdt_t3_1.F... Compiling ccsdt_t3_1_1.F... Compiling OFFSET_ccsdt_t3_1_1.F... Compiling ccsdt_t3_1_2.F... Compiling ccsdt_t3_1_2_1.F... Compiling OFFSET_ccsdt_t3_1_2_1.F... Compiling ccsdt_t3_1_2_2.F... Compiling ccsdt_t3_1_2_2_1.F... Compiling OFFSET_ccsdt_t3_1_2_2_1.F... Compiling ccsdt_t3_1_2_2_2.F... Compiling ccsdt_t3_1_2_3.F... Compiling ccsdt_t3_1_3.F... Compiling ccsdt_t3_1_3_1.F... Compiling OFFSET_ccsdt_t3_1_3_1.F... Compiling ccsdt_t3_1_3_2.F... Compiling ccsdt_t3_1_4.F... Compiling ccsdt_t3_1_4_1.F... Compiling OFFSET_ccsdt_t3_1_4_1.F... Compiling ccsdt_t3_1_4_2.F... Compiling ccsdt_t3_1_5.F... Compiling ccsdt_t3_1_5_1.F... Compiling OFFSET_ccsdt_t3_1_5_1.F... Compiling ccsdt_t3_1_5_2.F... Compiling ccsdt_t3_1_6.F... Compiling ccsdt_t3_1_7.F... Compiling ccsdt_t3_2.F... Compiling ccsdt_t3_2_1.F... Compiling OFFSET_ccsdt_t3_2_1.F... Compiling ccsdt_t3_2_2.F... Compiling ccsdt_t3_2_3.F... Compiling ccsdt_t3_2_3_1.F... Compiling OFFSET_ccsdt_t3_2_3_1.F... Compiling ccsdt_t3_2_3_2.F... Compiling ccsdt_t3_2_4.F... Compiling ccsdt_t3_2_5.F... Compiling ccsdt_t3_3.F... Compiling ccsdt_t3_3_1.F... Compiling OFFSET_ccsdt_t3_3_1.F... Compiling ccsdt_t3_3_2.F... Compiling ccsdt_t3_3_2_1.F... Compiling OFFSET_ccsdt_t3_3_2_1.F... Compiling ccsdt_t3_3_2_2.F... Compiling ccsdt_t3_3_3.F... Compiling ccsdt_t3_3_4.F... Compiling ccsdt_t3_4.F... Compiling ccsdt_t3_4_1.F... Compiling OFFSET_ccsdt_t3_4_1.F... Compiling ccsdt_t3_4_2.F... Compiling ccsdt_t3_4_3.F... Compiling ccsdt_t3_5.F... Compiling ccsdt_t3_5_1.F... Compiling OFFSET_ccsdt_t3_5_1.F... Compiling ccsdt_t3_5_2.F... Compiling ccsdt_t3_5_2_1.F... Compiling OFFSET_ccsdt_t3_5_2_1.F... Compiling ccsdt_t3_5_2_2.F... Compiling ccsdt_t3_5_3.F... Compiling ccsdt_t3_6.F... Compiling ccsdt_t3_6_1.F... Compiling OFFSET_ccsdt_t3_6_1.F... Compiling ccsdt_t3_6_2.F... Compiling ccsdt_t3_6_3.F... Compiling ccsdt_t3_7.F... Compiling ccsdt_t3_8.F... Compiling ccsdt_t3_8_1.F... Compiling OFFSET_ccsdt_t3_8_1.F... Compiling ccsdt_t3_8_1_1.F... Compiling OFFSET_ccsdt_t3_8_1_1.F... Compiling ccsdt_t3_8_1_2.F... Compiling ccsdt_t3_8_1_2_1.F... Compiling OFFSET_ccsdt_t3_8_1_2_1.F... Compiling ccsdt_t3_8_1_2_2.F... Compiling ccsdt_t3_8_1_3.F... Compiling ccsdt_t3_8_1_4.F... Compiling ccsdt_t3_8_2.F... Compiling ccsdt_t3_8_2_1.F... Compiling OFFSET_ccsdt_t3_8_2_1.F... Compiling ccsdt_t3_8_2_2.F... Compiling ccsdt_t3_8_3.F... Compiling ccsdt_t3_8_3_1.F... Compiling OFFSET_ccsdt_t3_8_3_1.F... Compiling ccsdt_t3_8_3_2.F... Compiling ccsdt_t3_8_4.F... Compiling ccsdt_t3_8_5.F... Compiling ccsdt_t3_8_5_1.F... Compiling OFFSET_ccsdt_t3_8_5_1.F... Compiling ccsdt_t3_9.F... Compiling ccsdt_t3_9_1.F... Compiling OFFSET_ccsdt_t3_9_1.F... Compiling ccsdt_t3a_1.F... Compiling ccsdt_t3a_1_1.F... Compiling OFFSET_ccsdt_t3a_1_1.F... Compiling ccsdt_t3a_1_2.F... Compiling ccsdt_t3a_1_2_1.F... Compiling OFFSET_ccsdt_t3a_1_2_1.F... Compiling ccsdt_t3a_1_2_2.F... Compiling ccsdt_t3a_1_2_2_1.F... Compiling OFFSET_ccsdt_t3a_1_2_2_1.F... Compiling ccsdt_t3a_1_2_2_2.F... Compiling ccsdt_t3a_1_2_3.F... Compiling ccsdt_t3a_1_3.F... Compiling ccsdt_t3a_1_3_1.F... Compiling OFFSET_ccsdt_t3a_1_3_1.F... Compiling ccsdt_t3a_1_3_2.F... Compiling ccsdt_t3a_1_4.F... Compiling ccsdt_t3a_1_4_1.F... Compiling OFFSET_ccsdt_t3a_1_4_1.F... Compiling ccsdt_t3a_1_4_2.F... Compiling ccsdt_t3a_1_5.F... Compiling ccsdt_t3a_1_5_1.F... Compiling OFFSET_ccsdt_t3a_1_5_1.F... Compiling ccsdt_t3a_1_5_2.F... Compiling ccsdt_t3a_1_6.F... Compiling ccsdt_t3a_1_7.F... Compiling ccsdt_t3a_2.F... Compiling ccsdt_t3a_2_1.F... Compiling OFFSET_ccsdt_t3a_2_1.F... Compiling ccsdt_t3a_2_2.F... Compiling ccsdt_t3a_2_3.F... Compiling ccsdt_t3a_2_3_1.F... Compiling OFFSET_ccsdt_t3a_2_3_1.F... Compiling ccsdt_t3a_2_3_2.F... Compiling ccsdt_t3a_2_4.F... Compiling ccsdt_t3a_2_5.F... Compiling ccsdt_t3a_3.F... Compiling ccsdt_t3a_3_1.F... Compiling OFFSET_ccsdt_t3a_3_1.F... Compiling ccsdt_t3a_3_2.F... Compiling ccsdt_t3a_3_2_1.F... Compiling OFFSET_ccsdt_t3a_3_2_1.F... Compiling ccsdt_t3a_3_2_2.F... Compiling ccsdt_t3a_3_3.F... Compiling ccsdt_t3a_3_4.F... Compiling ccsdt_t3a_4.F... Compiling ccsdt_t3a_4_1.F... Compiling OFFSET_ccsdt_t3a_4_1.F... Compiling ccsdt_t3a_4_2.F... Compiling ccsdt_t3a_4_3.F... Compiling ccsdt_t3a_5.F... Compiling ccsdt_t3a_5_1.F... Compiling OFFSET_ccsdt_t3a_5_1.F... Compiling ccsdt_t3a_5_2.F... Compiling ccsdt_t3a_5_2_1.F... Compiling OFFSET_ccsdt_t3a_5_2_1.F... Compiling ccsdt_t3a_5_2_2.F... Compiling ccsdt_t3a_5_3.F... Compiling ccsdt_t3a_6.F... Compiling ccsdt_t3a_6_1.F... Compiling OFFSET_ccsdt_t3a_6_1.F... Compiling ccsdt_t3a_6_2.F... Compiling ccsdt_t3a_6_3.F... Compiling ccsdt_t3a_7.F... Compiling ccsdt_t3a_8.F... Compiling ccsdt_t3a_8_1.F... Compiling OFFSET_ccsdt_t3a_8_1.F... Compiling ccsdt_t3a_8_1_1.F... Compiling OFFSET_ccsdt_t3a_8_1_1.F... Compiling ccsdt_t3a_8_1_2.F... Compiling ccsdt_t3a_8_1_2_1.F... Compiling OFFSET_ccsdt_t3a_8_1_2_1.F... Compiling ccsdt_t3a_8_1_2_2.F... Compiling ccsdt_t3a_8_1_3.F... Compiling ccsdt_t3a_8_1_4.F... Compiling ccsdt_t3a_8_2.F... Compiling ccsdt_t3a_8_2_1.F... Compiling OFFSET_ccsdt_t3a_8_2_1.F... Compiling ccsdt_t3a_8_2_2.F... Compiling ccsdt_t3a_8_3.F... Compiling ccsdt_t3a_8_3_1.F... Compiling OFFSET_ccsdt_t3a_8_3_1.F... Compiling ccsdt_t3a_8_3_2.F... Compiling ccsdt_t3a_8_4.F... Compiling ccsdt_t3a_8_5.F... Compiling ccsdt_t3a_8_5_1.F... Compiling OFFSET_ccsdt_t3a_8_5_1.F... Compiling ccsdt_t3a_9.F... Compiling ccsdt_t3a_9_1.F... Compiling OFFSET_ccsdt_t3a_9_1.F... Compiling acolo.F... Compiling acolo_o.F... Compiling acolo_o_1p.F... Compiling acolo_o_2p.F... Compiling acolo_1p_2h.F... Compiling acolo_2h.F... Compiling acolo_1h.F... Compiling acolo_1p_1h.F... Compiling acolo_2p_1h.F... Compiling acolo_1p.F... Compiling acolo_1a_2h.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsdt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsdt' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a ccsdt_e.o ccsdt_t1.o ccsdt_t2.o ccsdt_t3.o ccsdt_t1a.o ccsdt_t2a.o ccsdt_t3a.o ccsdt_t3_1.o ccsdt_t3_1_1.o OFFSET_ccsdt_t3_1_1.o ccsdt_t3_1_2.o ccsdt_t3_1_2_1.o OFFSET_ccsdt_t3_1_2_1.o ccsdt_t3_1_2_2.o ccsdt_t3_1_2_2_1.o OFFSET_ccsdt_t3_1_2_2_1.o ccsdt_t3_1_2_2_2.o ccsdt_t3_1_2_3.o ccsdt_t3_1_3.o ccsdt_t3_1_3_1.o OFFSET_ccsdt_t3_1_3_1.o ccsdt_t3_1_3_2.o ccsdt_t3_1_4.o ccsdt_t3_1_4_1.o OFFSET_ccsdt_t3_1_4_1.o ccsdt_t3_1_4_2.o ccsdt_t3_1_5.o ccsdt_t3_1_5_1.o OFFSET_ccsdt_t3_1_5_1.o ccsdt_t3_1_5_2.o ccsdt_t3_1_6.o ccsdt_t3_1_7.o ccsdt_t3_2.o ccsdt_t3_2_1.o OFFSET_ccsdt_t3_2_1.o ccsdt_t3_2_2.o ccsdt_t3_2_3.o ccsdt_t3_2_3_1.o OFFSET_ccsdt_t3_2_3_1.o ccsdt_t3_2_3_2.o ccsdt_t3_2_4.o ccsdt_t3_2_5.o ccsdt_t3_3.o ccsdt_t3_3_1.o OFFSET_ccsdt_t3_3_1.o ccsdt_t3_3_2.o ccsdt_t3_3_2_1.o OFFSET_ccsdt_t3_3_2_1.o ccsdt_t3_3_2_2.o ccsdt_t3_3_3.o ccsdt_t3_3_4.o ccsdt_t3_4.o ccsdt_t3_4_1.o OFFSET_ccsdt_t3_4_1.o ccsdt_t3_4_2.o ccsdt_t3_4_3.o ccsdt_t3_5.o ccsdt_t3_5_1.o OFFSET_ccsdt_t3_5_1.o ccsdt_t3_5_2.o ccsdt_t3_5_2_1.o OFFSET_ccsdt_t3_5_2_1.o ccsdt_t3_5_2_2.o ccsdt_t3_5_3.o ccsdt_t3_6.o ccsdt_t3_6_1.o OFFSET_ccsdt_t3_6_1.o ccsdt_t3_6_2.o ccsdt_t3_6_3.o ccsdt_t3_7.o ccsdt_t3_8.o ccsdt_t3_8_1.o OFFSET_ccsdt_t3_8_1.o ccsdt_t3_8_1_1.o OFFSET_ccsdt_t3_8_1_1.o ccsdt_t3_8_1_2.o ccsdt_t3_8_1_2_1.o OFFSET_ccsdt_t3_8_1_2_1.o ccsdt_t3_8_1_2_2.o ccsdt_t3_8_1_3.o ccsdt_t3_8_1_4.o ccsdt_t3_8_2.o ccsdt_t3_8_2_1.o OFFSET_ccsdt_t3_8_2_1.o ccsdt_t3_8_2_2.o ccsdt_t3_8_3.o ccsdt_t3_8_3_1.o OFFSET_ccsdt_t3_8_3_1.o ccsdt_t3_8_3_2.o ccsdt_t3_8_4.o ccsdt_t3_8_5.o ccsdt_t3_8_5_1.o OFFSET_ccsdt_t3_8_5_1.o ccsdt_t3_9.o ccsdt_t3_9_1.o OFFSET_ccsdt_t3_9_1.o ccsdt_t3a_1.o ccsdt_t3a_1_1.o OFFSET_ccsdt_t3a_1_1.o ccsdt_t3a_1_2.o ccsdt_t3a_1_2_1.o OFFSET_ccsdt_t3a_1_2_1.o ccsdt_t3a_1_2_2.o ccsdt_t3a_1_2_2_1.o OFFSET_ccsdt_t3a_1_2_2_1.o ccsdt_t3a_1_2_2_2.o ccsdt_t3a_1_2_3.o ccsdt_t3a_1_3.o ccsdt_t3a_1_3_1.o OFFSET_ccsdt_t3a_1_3_1.o ccsdt_t3a_1_3_2.o ccsdt_t3a_1_4.o ccsdt_t3a_1_4_1.o OFFSET_ccsdt_t3a_1_4_1.o ccsdt_t3a_1_4_2.o ccsdt_t3a_1_5.o ccsdt_t3a_1_5_1.o OFFSET_ccsdt_t3a_1_5_1.o ccsdt_t3a_1_5_2.o ccsdt_t3a_1_6.o ccsdt_t3a_1_7.o ccsdt_t3a_2.o ccsdt_t3a_2_1.o OFFSET_ccsdt_t3a_2_1.o ccsdt_t3a_2_2.o ccsdt_t3a_2_3.o ccsdt_t3a_2_3_1.o OFFSET_ccsdt_t3a_2_3_1.o ccsdt_t3a_2_3_2.o ccsdt_t3a_2_4.o ccsdt_t3a_2_5.o ccsdt_t3a_3.o ccsdt_t3a_3_1.o OFFSET_ccsdt_t3a_3_1.o ccsdt_t3a_3_2.o ccsdt_t3a_3_2_1.o OFFSET_ccsdt_t3a_3_2_1.o ccsdt_t3a_3_2_2.o ccsdt_t3a_3_3.o ccsdt_t3a_3_4.o ccsdt_t3a_4.o ccsdt_t3a_4_1.o OFFSET_ccsdt_t3a_4_1.o ccsdt_t3a_4_2.o ccsdt_t3a_4_3.o ccsdt_t3a_5.o ccsdt_t3a_5_1.o OFFSET_ccsdt_t3a_5_1.o ccsdt_t3a_5_2.o ccsdt_t3a_5_2_1.o OFFSET_ccsdt_t3a_5_2_1.o ccsdt_t3a_5_2_2.o ccsdt_t3a_5_3.o ccsdt_t3a_6.o ccsdt_t3a_6_1.o OFFSET_ccsdt_t3a_6_1.o ccsdt_t3a_6_2.o ccsdt_t3a_6_3.o ccsdt_t3a_7.o ccsdt_t3a_8.o ccsdt_t3a_8_1.o OFFSET_ccsdt_t3a_8_1.o ccsdt_t3a_8_1_1.o OFFSET_ccsdt_t3a_8_1_1.o ccsdt_t3a_8_1_2.o ccsdt_t3a_8_1_2_1.o OFFSET_ccsdt_t3a_8_1_2_1.o ccsdt_t3a_8_1_2_2.o ccsdt_t3a_8_1_3.o ccsdt_t3a_8_1_4.o ccsdt_t3a_8_2.o ccsdt_t3a_8_2_1.o OFFSET_ccsdt_t3a_8_2_1.o ccsdt_t3a_8_2_2.o ccsdt_t3a_8_3.o ccsdt_t3a_8_3_1.o OFFSET_ccsdt_t3a_8_3_1.o ccsdt_t3a_8_3_2.o ccsdt_t3a_8_4.o ccsdt_t3a_8_5.o ccsdt_t3a_8_5_1.o OFFSET_ccsdt_t3a_8_5_1.o ccsdt_t3a_9.o ccsdt_t3a_9_1.o OFFSET_ccsdt_t3a_9_1.o acolo.o acolo_o.o acolo_o_1p.o acolo_o_2p.o acolo_1p_2h.o acolo_2h.o acolo_1h.o acolo_1p_1h.o acolo_2p_1h.o acolo_1p.o acolo_1a_2h.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsdt' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsdt' Making all in ccsdt_lambda make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsdt_lambda' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsdt_lambda' Compiling ccsdt_lambda3.F... Compiling ccsdt_density1.F... Compiling ccsdt_lambda1.F... Compiling ccsdt_lambda1_1.F... Compiling ccsdt_lambda1_2.F... Compiling ccsdt_lambda1_2_1.F... Compiling OFFSET_ccsdt_lambda1_2_1.F... Compiling ccsdt_lambda1_2_2.F... Compiling ccsdt_lambda1_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_2_2_1.F... Compiling ccsdt_lambda1_2_2_2.F... Compiling ccsdt_lambda1_2_3.F... Compiling ccsdt_lambda1_2_4.F... Compiling ccsdt_lambda1_3.F... Compiling ccsdt_lambda1_3_1.F... Compiling OFFSET_ccsdt_lambda1_3_1.F... Compiling ccsdt_lambda1_3_2.F... Compiling ccsdt_lambda1_3_3.F... Compiling ccsdt_lambda1_3_3_1.F... Compiling OFFSET_ccsdt_lambda1_3_3_1.F... Compiling ccsdt_lambda1_4.F... Compiling ccsdt_lambda1_5.F... Compiling ccsdt_lambda1_5_1.F... Compiling OFFSET_ccsdt_lambda1_5_1.F... Compiling ccsdt_lambda1_5_2.F... Compiling ccsdt_lambda1_5_2_1.F... Compiling OFFSET_ccsdt_lambda1_5_2_1.F... Compiling ccsdt_lambda1_5_2_2.F... Compiling ccsdt_lambda1_5_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_5_2_2_1.F... Compiling ccsdt_lambda1_5_2_2_2.F... Compiling ccsdt_lambda1_5_2_3.F... Compiling ccsdt_lambda1_5_2_4.F... Compiling ccsdt_lambda1_5_3.F... Compiling ccsdt_lambda1_5_3_1.F... Compiling OFFSET_ccsdt_lambda1_5_3_1.F... Compiling ccsdt_lambda1_5_3_2.F... Compiling ccsdt_lambda1_5_4.F... Compiling ccsdt_lambda1_5_5.F... Compiling ccsdt_lambda1_5_5_1.F... Compiling OFFSET_ccsdt_lambda1_5_5_1.F... Compiling ccsdt_lambda1_5_5_2.F... Compiling ccsdt_lambda1_5_6.F... Compiling ccsdt_lambda1_5_6_1.F... Compiling OFFSET_ccsdt_lambda1_5_6_1.F... Compiling ccsdt_lambda1_5_6_2.F... Compiling ccsdt_lambda1_5_7.F... Compiling ccsdt_lambda1_5_8.F... Compiling ccsdt_lambda1_6.F... Compiling ccsdt_lambda1_6_1.F... Compiling OFFSET_ccsdt_lambda1_6_1.F... Compiling ccsdt_lambda1_6_2.F... Compiling ccsdt_lambda1_6_2_1.F... Compiling OFFSET_ccsdt_lambda1_6_2_1.F... Compiling ccsdt_lambda1_6_2_2.F... Compiling ccsdt_lambda1_6_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_6_2_2_1.F... Compiling ccsdt_lambda1_6_2_2_2.F... Compiling ccsdt_lambda1_6_2_3.F... Compiling ccsdt_lambda1_6_3.F... Compiling ccsdt_lambda1_6_3_1.F... Compiling OFFSET_ccsdt_lambda1_6_3_1.F... Compiling ccsdt_lambda1_6_3_2.F... Compiling ccsdt_lambda1_6_4.F... Compiling ccsdt_lambda1_6_4_1.F... Compiling OFFSET_ccsdt_lambda1_6_4_1.F... Compiling ccsdt_lambda1_6_4_2.F... Compiling ccsdt_lambda1_6_5.F... Compiling ccsdt_lambda1_6_5_1.F... Compiling OFFSET_ccsdt_lambda1_6_5_1.F... Compiling ccsdt_lambda1_6_5_2.F... Compiling ccsdt_lambda1_6_6.F... Compiling ccsdt_lambda1_6_7.F... Compiling ccsdt_lambda1_7.F... Compiling ccsdt_lambda1_7_1.F... Compiling OFFSET_ccsdt_lambda1_7_1.F... Compiling ccsdt_lambda1_7_2.F... Compiling ccsdt_lambda1_8.F... Compiling ccsdt_lambda1_8_1.F... Compiling OFFSET_ccsdt_lambda1_8_1.F... Compiling ccsdt_lambda1_8_2.F... Compiling ccsdt_lambda1_8_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_1.F... Compiling ccsdt_lambda1_8_2_2.F... Compiling ccsdt_lambda1_8_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_2_1.F... Compiling ccsdt_lambda1_8_2_2_2.F... Compiling ccsdt_lambda1_8_2_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_2_2_1.F... Compiling ccsdt_lambda1_8_2_2_2_2.F... Compiling ccsdt_lambda1_8_2_2_3.F... Compiling ccsdt_lambda1_8_2_3.F... Compiling ccsdt_lambda1_8_2_3_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_3_1.F... Compiling ccsdt_lambda1_8_2_3_2.F... Compiling ccsdt_lambda1_8_2_4.F... Compiling ccsdt_lambda1_8_2_5.F... Compiling ccsdt_lambda1_8_2_5_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_5_1.F... Compiling ccsdt_lambda1_8_3.F... Compiling ccsdt_lambda1_8_3_1.F... Compiling OFFSET_ccsdt_lambda1_8_3_1.F... Compiling ccsdt_lambda1_8_3_2.F... Compiling ccsdt_lambda1_8_4.F... Compiling ccsdt_lambda1_8_4_1.F... Compiling OFFSET_ccsdt_lambda1_8_4_1.F... Compiling ccsdt_lambda1_8_4_2.F... Compiling ccsdt_lambda1_8_4_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_4_2_1.F... Compiling ccsdt_lambda1_8_5.F... Compiling ccsdt_lambda1_8_5_1.F... Compiling OFFSET_ccsdt_lambda1_8_5_1.F... Compiling ccsdt_lambda1_8_5_2.F... Compiling ccsdt_lambda1_8_5_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_5_2_1.F... Compiling ccsdt_lambda1_8_6.F... Compiling ccsdt_lambda1_8_6_1.F... Compiling OFFSET_ccsdt_lambda1_8_6_1.F... Compiling ccsdt_lambda1_8_6_2.F... Compiling ccsdt_lambda1_8_6_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_6_2_1.F... Compiling ccsdt_lambda1_8_6_2_2.F... Compiling ccsdt_lambda1_8_6_3.F... Compiling ccsdt_lambda1_8_7.F... Compiling ccsdt_lambda1_8_7_1.F... Compiling OFFSET_ccsdt_lambda1_8_7_1.F... Compiling ccsdt_lambda1_8_7_2.F... Compiling ccsdt_lambda1_8_7_3.F... Compiling ccsdt_lambda1_8_8.F... Compiling ccsdt_lambda1_8_9.F... Compiling ccsdt_lambda1_8_9_1.F... Compiling OFFSET_ccsdt_lambda1_8_9_1.F... Compiling ccsdt_lambda1_8_9_2.F... Compiling ccsdt_lambda1_8_10.F... Compiling ccsdt_lambda1_8_10_1.F... Compiling OFFSET_ccsdt_lambda1_8_10_1.F... Compiling ccsdt_lambda1_8_10_2.F... Compiling ccsdt_lambda1_8_11.F... Compiling ccsdt_lambda1_8_12.F... Compiling ccsdt_lambda1_8_12_1.F... Compiling OFFSET_ccsdt_lambda1_8_12_1.F... Compiling ccsdt_lambda1_8_12_2.F... Compiling ccsdt_lambda1_8_12_3.F... Compiling ccsdt_lambda1_8_13.F... Compiling ccsdt_lambda1_8_13_1.F... Compiling OFFSET_ccsdt_lambda1_8_13_1.F... Compiling ccsdt_lambda1_8_13_2.F... Compiling ccsdt_lambda1_8_13_3.F... Compiling ccsdt_lambda1_8_14.F... Compiling ccsdt_lambda1_8_14_1.F... Compiling OFFSET_ccsdt_lambda1_8_14_1.F... Compiling ccsdt_lambda1_8_14_2.F... Compiling ccsdt_lambda1_9.F... Compiling ccsdt_lambda1_9_1.F... Compiling OFFSET_ccsdt_lambda1_9_1.F... Compiling ccsdt_lambda1_9_2.F... Compiling ccsdt_lambda1_9_3.F... Compiling ccsdt_lambda1_9_4.F... Compiling ccsdt_lambda1_9_4_1.F... Compiling OFFSET_ccsdt_lambda1_9_4_1.F... Compiling ccsdt_lambda1_9_4_2.F... Compiling ccsdt_lambda1_9_4_3.F... Compiling ccsdt_lambda1_9_5.F... 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Compiling OFFSET_ccsdt_lambda2_26_2_1_1.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsdt_lambda' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsdt_lambda' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a ccsdt_lambda3.o ccsdt_density1.o ccsdt_lambda1.o ccsdt_lambda1_1.o ccsdt_lambda1_2.o ccsdt_lambda1_2_1.o OFFSET_ccsdt_lambda1_2_1.o ccsdt_lambda1_2_2.o ccsdt_lambda1_2_2_1.o OFFSET_ccsdt_lambda1_2_2_1.o ccsdt_lambda1_2_2_2.o ccsdt_lambda1_2_3.o ccsdt_lambda1_2_4.o ccsdt_lambda1_3.o ccsdt_lambda1_3_1.o OFFSET_ccsdt_lambda1_3_1.o ccsdt_lambda1_3_2.o ccsdt_lambda1_3_3.o ccsdt_lambda1_3_3_1.o OFFSET_ccsdt_lambda1_3_3_1.o ccsdt_lambda1_4.o ccsdt_lambda1_5.o ccsdt_lambda1_5_1.o OFFSET_ccsdt_lambda1_5_1.o ccsdt_lambda1_5_2.o ccsdt_lambda1_5_2_1.o OFFSET_ccsdt_lambda1_5_2_1.o ccsdt_lambda1_5_2_2.o ccsdt_lambda1_5_2_2_1.o OFFSET_ccsdt_lambda1_5_2_2_1.o ccsdt_lambda1_5_2_2_2.o ccsdt_lambda1_5_2_3.o ccsdt_lambda1_5_2_4.o ccsdt_lambda1_5_3.o ccsdt_lambda1_5_3_1.o OFFSET_ccsdt_lambda1_5_3_1.o ccsdt_lambda1_5_3_2.o ccsdt_lambda1_5_4.o ccsdt_lambda1_5_5.o ccsdt_lambda1_5_5_1.o OFFSET_ccsdt_lambda1_5_5_1.o ccsdt_lambda1_5_5_2.o ccsdt_lambda1_5_6.o ccsdt_lambda1_5_6_1.o OFFSET_ccsdt_lambda1_5_6_1.o ccsdt_lambda1_5_6_2.o ccsdt_lambda1_5_7.o ccsdt_lambda1_5_8.o ccsdt_lambda1_6.o ccsdt_lambda1_6_1.o OFFSET_ccsdt_lambda1_6_1.o ccsdt_lambda1_6_2.o ccsdt_lambda1_6_2_1.o OFFSET_ccsdt_lambda1_6_2_1.o ccsdt_lambda1_6_2_2.o ccsdt_lambda1_6_2_2_1.o OFFSET_ccsdt_lambda1_6_2_2_1.o ccsdt_lambda1_6_2_2_2.o ccsdt_lambda1_6_2_3.o ccsdt_lambda1_6_3.o ccsdt_lambda1_6_3_1.o OFFSET_ccsdt_lambda1_6_3_1.o ccsdt_lambda1_6_3_2.o ccsdt_lambda1_6_4.o ccsdt_lambda1_6_4_1.o OFFSET_ccsdt_lambda1_6_4_1.o ccsdt_lambda1_6_4_2.o ccsdt_lambda1_6_5.o ccsdt_lambda1_6_5_1.o OFFSET_ccsdt_lambda1_6_5_1.o ccsdt_lambda1_6_5_2.o ccsdt_lambda1_6_6.o ccsdt_lambda1_6_7.o ccsdt_lambda1_7.o ccsdt_lambda1_7_1.o OFFSET_ccsdt_lambda1_7_1.o ccsdt_lambda1_7_2.o ccsdt_lambda1_8.o ccsdt_lambda1_8_1.o OFFSET_ccsdt_lambda1_8_1.o ccsdt_lambda1_8_2.o ccsdt_lambda1_8_2_1.o OFFSET_ccsdt_lambda1_8_2_1.o ccsdt_lambda1_8_2_2.o ccsdt_lambda1_8_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_1.o ccsdt_lambda1_8_2_2_2.o ccsdt_lambda1_8_2_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_2_1.o ccsdt_lambda1_8_2_2_2_2.o ccsdt_lambda1_8_2_2_3.o ccsdt_lambda1_8_2_3.o ccsdt_lambda1_8_2_3_1.o OFFSET_ccsdt_lambda1_8_2_3_1.o ccsdt_lambda1_8_2_3_2.o ccsdt_lambda1_8_2_4.o ccsdt_lambda1_8_2_5.o ccsdt_lambda1_8_2_5_1.o OFFSET_ccsdt_lambda1_8_2_5_1.o ccsdt_lambda1_8_3.o ccsdt_lambda1_8_3_1.o OFFSET_ccsdt_lambda1_8_3_1.o ccsdt_lambda1_8_3_2.o ccsdt_lambda1_8_4.o ccsdt_lambda1_8_4_1.o OFFSET_ccsdt_lambda1_8_4_1.o ccsdt_lambda1_8_4_2.o ccsdt_lambda1_8_4_2_1.o OFFSET_ccsdt_lambda1_8_4_2_1.o ccsdt_lambda1_8_5.o ccsdt_lambda1_8_5_1.o OFFSET_ccsdt_lambda1_8_5_1.o ccsdt_lambda1_8_5_2.o ccsdt_lambda1_8_5_2_1.o OFFSET_ccsdt_lambda1_8_5_2_1.o ccsdt_lambda1_8_6.o ccsdt_lambda1_8_6_1.o OFFSET_ccsdt_lambda1_8_6_1.o ccsdt_lambda1_8_6_2.o ccsdt_lambda1_8_6_2_1.o OFFSET_ccsdt_lambda1_8_6_2_1.o ccsdt_lambda1_8_6_2_2.o ccsdt_lambda1_8_6_3.o ccsdt_lambda1_8_7.o ccsdt_lambda1_8_7_1.o OFFSET_ccsdt_lambda1_8_7_1.o ccsdt_lambda1_8_7_2.o ccsdt_lambda1_8_7_3.o ccsdt_lambda1_8_8.o ccsdt_lambda1_8_9.o ccsdt_lambda1_8_9_1.o OFFSET_ccsdt_lambda1_8_9_1.o ccsdt_lambda1_8_9_2.o ccsdt_lambda1_8_10.o ccsdt_lambda1_8_10_1.o OFFSET_ccsdt_lambda1_8_10_1.o ccsdt_lambda1_8_10_2.o ccsdt_lambda1_8_11.o ccsdt_lambda1_8_12.o ccsdt_lambda1_8_12_1.o OFFSET_ccsdt_lambda1_8_12_1.o ccsdt_lambda1_8_12_2.o ccsdt_lambda1_8_12_3.o ccsdt_lambda1_8_13.o ccsdt_lambda1_8_13_1.o OFFSET_ccsdt_lambda1_8_13_1.o ccsdt_lambda1_8_13_2.o ccsdt_lambda1_8_13_3.o ccsdt_lambda1_8_14.o ccsdt_lambda1_8_14_1.o OFFSET_ccsdt_lambda1_8_14_1.o ccsdt_lambda1_8_14_2.o ccsdt_lambda1_9.o ccsdt_lambda1_9_1.o OFFSET_ccsdt_lambda1_9_1.o ccsdt_lambda1_9_2.o ccsdt_lambda1_9_3.o ccsdt_lambda1_9_4.o ccsdt_lambda1_9_4_1.o OFFSET_ccsdt_lambda1_9_4_1.o ccsdt_lambda1_9_4_2.o ccsdt_lambda1_9_4_3.o ccsdt_lambda1_9_5.o ccsdt_lambda1_9_5_1.o OFFSET_ccsdt_lambda1_9_5_1.o ccsdt_lambda1_9_5_2.o ccsdt_lambda1_9_5_2_1.o OFFSET_ccsdt_lambda1_9_5_2_1.o ccsdt_lambda1_9_5_2_2.o ccsdt_lambda1_9_6.o ccsdt_lambda1_9_6_1.o OFFSET_ccsdt_lambda1_9_6_1.o ccsdt_lambda1_10.o ccsdt_lambda1_10_1.o OFFSET_ccsdt_lambda1_10_1.o ccsdt_lambda1_10_2.o ccsdt_lambda1_10_3.o ccsdt_lambda1_11.o ccsdt_lambda1_11_1.o OFFSET_ccsdt_lambda1_11_1.o ccsdt_lambda1_11_2.o ccsdt_lambda1_11_3.o ccsdt_lambda1_12.o ccsdt_lambda1_12_1.o OFFSET_ccsdt_lambda1_12_1.o ccsdt_lambda1_12_2.o ccsdt_lambda1_12_3.o ccsdt_lambda1_13.o ccsdt_lambda1_13_1.o OFFSET_ccsdt_lambda1_13_1.o ccsdt_lambda1_13_2.o ccsdt_lambda1_14.o ccsdt_lambda1_14_1.o OFFSET_ccsdt_lambda1_14_1.o ccsdt_lambda1_14_2.o ccsdt_lambda1_14_3.o ccsdt_lambda1_14_3_1.o OFFSET_ccsdt_lambda1_14_3_1.o ccsdt_lambda1_14_3_2.o ccsdt_lambda1_14_3_3.o ccsdt_lambda1_14_3_3_1.o OFFSET_ccsdt_lambda1_14_3_3_1.o ccsdt_lambda1_14_3_3_2.o ccsdt_lambda1_14_4.o ccsdt_lambda1_14_4_1.o OFFSET_ccsdt_lambda1_14_4_1.o ccsdt_lambda1_14_5.o ccsdt_lambda1_14_5_1.o OFFSET_ccsdt_lambda1_14_5_1.o ccsdt_lambda1_14_5_2.o ccsdt_lambda1_14_6.o ccsdt_lambda1_14_6_1.o OFFSET_ccsdt_lambda1_14_6_1.o ccsdt_lambda1_14_7.o ccsdt_lambda1_14_7_1.o OFFSET_ccsdt_lambda1_14_7_1.o ccsdt_lambda1_14_8.o ccsdt_lambda1_14_8_1.o OFFSET_ccsdt_lambda1_14_8_1.o ccsdt_lambda1_14_8_1_1.o OFFSET_ccsdt_lambda1_14_8_1_1.o ccsdt_lambda1_14_8_1_2.o ccsdt_lambda1_14_9.o ccsdt_lambda1_14_9_1.o OFFSET_ccsdt_lambda1_14_9_1.o ccsdt_lambda1_14_9_1_1.o OFFSET_ccsdt_lambda1_14_9_1_1.o ccsdt_lambda1_15.o ccsdt_lambda1_15_1.o OFFSET_ccsdt_lambda1_15_1.o ccsdt_lambda1_15_2.o ccsdt_lambda1_15_3.o ccsdt_lambda1_15_3_1.o OFFSET_ccsdt_lambda1_15_3_1.o ccsdt_lambda1_15_4.o ccsdt_lambda1_15_4_1.o OFFSET_ccsdt_lambda1_15_4_1.o ccsdt_lambda1_16.o ccsdt_lambda1_16_1.o OFFSET_ccsdt_lambda1_16_1.o ccsdt_lambda1_16_2.o ccsdt_lambda1_16_3.o ccsdt_lambda1_16_3_1.o OFFSET_ccsdt_lambda1_16_3_1.o ccsdt_lambda1_16_3_2.o ccsdt_lambda1_16_4.o ccsdt_lambda1_16_4_1.o OFFSET_ccsdt_lambda1_16_4_1.o ccsdt_lambda1_17.o ccsdt_lambda1_17_1.o OFFSET_ccsdt_lambda1_17_1.o ccsdt_lambda1_18.o ccsdt_lambda1_18_1.o OFFSET_ccsdt_lambda1_18_1.o ccsdt_lambda1_18_1_1.o OFFSET_ccsdt_lambda1_18_1_1.o ccsdt_lambda1_18_1_2.o ccsdt_lambda1_18_1_3.o ccsdt_lambda1_18_1_4.o ccsdt_lambda1_18_1_4_1.o OFFSET_ccsdt_lambda1_18_1_4_1.o ccsdt_lambda1_18_1_4_2.o ccsdt_lambda1_18_2.o ccsdt_lambda1_18_2_1.o OFFSET_ccsdt_lambda1_18_2_1.o ccsdt_lambda1_18_2_2.o ccsdt_lambda1_18_3.o ccsdt_lambda1_18_3_1.o OFFSET_ccsdt_lambda1_18_3_1.o ccsdt_lambda1_18_3_2.o ccsdt_lambda1_18_4.o ccsdt_lambda1_18_5.o ccsdt_lambda1_18_5_1.o OFFSET_ccsdt_lambda1_18_5_1.o ccsdt_lambda1_18_6.o ccsdt_lambda1_18_6_1.o OFFSET_ccsdt_lambda1_18_6_1.o ccsdt_lambda1_18_6_1_1.o OFFSET_ccsdt_lambda1_18_6_1_1.o ccsdt_lambda1_19.o ccsdt_lambda1_19_1.o OFFSET_ccsdt_lambda1_19_1.o ccsdt_lambda1_20.o ccsdt_lambda1_20_1.o OFFSET_ccsdt_lambda1_20_1.o ccsdt_lambda1_20_1_1.o OFFSET_ccsdt_lambda1_20_1_1.o ccsdt_lambda1_21.o ccsdt_lambda1_21_1.o OFFSET_ccsdt_lambda1_21_1.o ccsdt_lambda1_21_1_1.o OFFSET_ccsdt_lambda1_21_1_1.o ccsdt_lambda1_21_1_1_1.o OFFSET_ccsdt_lambda1_21_1_1_1.o ccsdt_lambda1_21_1_1_2.o ccsdt_lambda1_21_2.o ccsdt_lambda1_21_2_1.o OFFSET_ccsdt_lambda1_21_2_1.o ccsdt_lambda1_21_2_1_1.o OFFSET_ccsdt_lambda1_21_2_1_1.o ccsdt_lambda2.o ccsdt_lambda2_1.o ccsdt_lambda2_2.o ccsdt_lambda2_2_1.o OFFSET_ccsdt_lambda2_2_1.o ccsdt_lambda2_2_2.o ccsdt_lambda2_3.o ccsdt_lambda2_3_1.o OFFSET_ccsdt_lambda2_3_1.o ccsdt_lambda2_3_2.o ccsdt_lambda2_4.o ccsdt_lambda2_5.o ccsdt_lambda2_5_1.o OFFSET_ccsdt_lambda2_5_1.o ccsdt_lambda2_5_2.o ccsdt_lambda2_5_2_1.o OFFSET_ccsdt_lambda2_5_2_1.o ccsdt_lambda2_5_2_2.o ccsdt_lambda2_5_3.o ccsdt_lambda2_5_4.o ccsdt_lambda2_6.o ccsdt_lambda2_6_1.o OFFSET_ccsdt_lambda2_6_1.o ccsdt_lambda2_6_2.o ccsdt_lambda2_6_3.o ccsdt_lambda2_6_4.o ccsdt_lambda2_6_4_1.o OFFSET_ccsdt_lambda2_6_4_1.o ccsdt_lambda2_7.o ccsdt_lambda2_7_1.o OFFSET_ccsdt_lambda2_7_1.o ccsdt_lambda2_7_2.o ccsdt_lambda2_7_2_1.o OFFSET_ccsdt_lambda2_7_2_1.o ccsdt_lambda2_7_2_2.o ccsdt_lambda2_7_3.o ccsdt_lambda2_8.o ccsdt_lambda2_8_1.o OFFSET_ccsdt_lambda2_8_1.o ccsdt_lambda2_8_2.o ccsdt_lambda2_8_3.o ccsdt_lambda2_9.o ccsdt_lambda2_10.o ccsdt_lambda2_10_1.o OFFSET_ccsdt_lambda2_10_1.o ccsdt_lambda2_10_2.o ccsdt_lambda2_10_2_1.o OFFSET_ccsdt_lambda2_10_2_1.o ccsdt_lambda2_10_2_2.o ccsdt_lambda2_10_2_2_1.o OFFSET_ccsdt_lambda2_10_2_2_1.o ccsdt_lambda2_10_2_2_2.o ccsdt_lambda2_10_2_3.o ccsdt_lambda2_10_2_4.o ccsdt_lambda2_10_3.o ccsdt_lambda2_10_3_1.o OFFSET_ccsdt_lambda2_10_3_1.o ccsdt_lambda2_10_3_2.o ccsdt_lambda2_10_3_3.o ccsdt_lambda2_10_4.o ccsdt_lambda2_10_5.o ccsdt_lambda2_10_5_1.o OFFSET_ccsdt_lambda2_10_5_1.o ccsdt_lambda2_10_5_2.o ccsdt_lambda2_10_6.o ccsdt_lambda2_10_7.o ccsdt_lambda2_10_8.o ccsdt_lambda2_11.o ccsdt_lambda2_11_1.o OFFSET_ccsdt_lambda2_11_1.o ccsdt_lambda2_11_2.o ccsdt_lambda2_11_2_1.o OFFSET_ccsdt_lambda2_11_2_1.o ccsdt_lambda2_11_2_2.o ccsdt_lambda2_11_2_2_1.o OFFSET_ccsdt_lambda2_11_2_2_1.o ccsdt_lambda2_11_2_2_2.o ccsdt_lambda2_11_2_3.o ccsdt_lambda2_11_3.o ccsdt_lambda2_11_3_1.o OFFSET_ccsdt_lambda2_11_3_1.o ccsdt_lambda2_11_3_2.o ccsdt_lambda2_11_4.o ccsdt_lambda2_11_4_1.o OFFSET_ccsdt_lambda2_11_4_1.o ccsdt_lambda2_11_4_2.o ccsdt_lambda2_11_5.o ccsdt_lambda2_11_5_1.o OFFSET_ccsdt_lambda2_11_5_1.o ccsdt_lambda2_11_5_2.o ccsdt_lambda2_11_6.o ccsdt_lambda2_11_7.o ccsdt_lambda2_12.o ccsdt_lambda2_12_1.o OFFSET_ccsdt_lambda2_12_1.o ccsdt_lambda2_12_2.o ccsdt_lambda2_12_3.o ccsdt_lambda2_12_3_1.o OFFSET_ccsdt_lambda2_12_3_1.o ccsdt_lambda2_12_3_2.o ccsdt_lambda2_12_4.o ccsdt_lambda2_12_5.o ccsdt_lambda2_12_6.o ccsdt_lambda2_12_6_1.o OFFSET_ccsdt_lambda2_12_6_1.o ccsdt_lambda2_12_7.o ccsdt_lambda2_12_7_1.o OFFSET_ccsdt_lambda2_12_7_1.o ccsdt_lambda2_13.o ccsdt_lambda2_13_1.o OFFSET_ccsdt_lambda2_13_1.o ccsdt_lambda2_13_2.o ccsdt_lambda2_13_3.o ccsdt_lambda2_14.o ccsdt_lambda2_14_1.o OFFSET_ccsdt_lambda2_14_1.o ccsdt_lambda2_14_2.o ccsdt_lambda2_15.o ccsdt_lambda2_15_1.o OFFSET_ccsdt_lambda2_15_1.o ccsdt_lambda2_15_2.o ccsdt_lambda2_16.o ccsdt_lambda2_16_1.o OFFSET_ccsdt_lambda2_16_1.o ccsdt_lambda2_16_2.o ccsdt_lambda2_17.o ccsdt_lambda2_17_1.o OFFSET_ccsdt_lambda2_17_1.o ccsdt_lambda2_18.o ccsdt_lambda2_18_1.o OFFSET_ccsdt_lambda2_18_1.o ccsdt_lambda2_18_2.o ccsdt_lambda2_19.o ccsdt_lambda2_19_1.o OFFSET_ccsdt_lambda2_19_1.o ccsdt_lambda2_19_2.o ccsdt_lambda2_19_3.o ccsdt_lambda2_19_3_1.o OFFSET_ccsdt_lambda2_19_3_1.o ccsdt_lambda2_19_4.o ccsdt_lambda2_19_4_1.o OFFSET_ccsdt_lambda2_19_4_1.o ccsdt_lambda2_20.o ccsdt_lambda2_20_1.o OFFSET_ccsdt_lambda2_20_1.o ccsdt_lambda2_21.o ccsdt_lambda2_21_1.o OFFSET_ccsdt_lambda2_21_1.o ccsdt_lambda2_22.o ccsdt_lambda2_22_1.o OFFSET_ccsdt_lambda2_22_1.o ccsdt_lambda2_23.o ccsdt_lambda2_23_1.o OFFSET_ccsdt_lambda2_23_1.o ccsdt_lambda2_23_2.o ccsdt_lambda2_23_2_1.o OFFSET_ccsdt_lambda2_23_2_1.o ccsdt_lambda2_23_2_2.o ccsdt_lambda2_23_3.o ccsdt_lambda2_23_3_1.o OFFSET_ccsdt_lambda2_23_3_1.o ccsdt_lambda2_24.o ccsdt_lambda2_24_1.o OFFSET_ccsdt_lambda2_24_1.o ccsdt_lambda2_24_1_1.o OFFSET_ccsdt_lambda2_24_1_1.o ccsdt_lambda2_25.o ccsdt_lambda2_25_1.o OFFSET_ccsdt_lambda2_25_1.o ccsdt_lambda2_25_1_1.o OFFSET_ccsdt_lambda2_25_1_1.o ccsdt_lambda2_26.o ccsdt_lambda2_26_1.o OFFSET_ccsdt_lambda2_26_1.o ccsdt_lambda2_26_1_1.o OFFSET_ccsdt_lambda2_26_1_1.o ccsdt_lambda2_26_2.o ccsdt_lambda2_26_2_1.o OFFSET_ccsdt_lambda2_26_2_1.o ccsdt_lambda2_26_2_1_1.o OFFSET_ccsdt_lambda2_26_2_1_1.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsdt_lambda' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsdt_lambda' Making all in eomccsdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsdt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsdt' Compiling eomccsdt_x1.F... Compiling eomccsdt_x2.F... Compiling eomccsdt_y3.F... Compiling eomccsdt_density1.F... Compiling eomccsdt_denominator.F... Compiling eomccsdt_x1a.F... Compiling eomccsdt_x2a.F... Compiling eomccsdt_density1_1_1.F... Compiling eomccsdt_density1_1_2.F... Compiling eomccsdt_density1_1_3.F... Compiling eomccsdt_density1_1.F... Compiling eomccsdt_density1_2_1.F... Compiling eomccsdt_density1_2_2_1.F... Compiling eomccsdt_density1_2_2.F... Compiling eomccsdt_density1_2.F... Compiling eomccsdt_density1_3_1.F... Compiling eomccsdt_density1_3_2.F... Compiling eomccsdt_density1_3_3.F... Compiling eomccsdt_density1_3_4_1.F... Compiling eomccsdt_density1_3_4_2.F... Compiling eomccsdt_density1_3_4_3.F... Compiling eomccsdt_density1_3_4.F... Compiling eomccsdt_density1_3_5_1.F... Compiling eomccsdt_density1_3_5_2.F... Compiling eomccsdt_density1_3_5.F... Compiling eomccsdt_density1_3_6_1.F... Compiling eomccsdt_density1_3_6.F... Compiling eomccsdt_density1_3.F... Compiling eomccsdt_density1_4_1.F... Compiling eomccsdt_density1_4_2_1.F... Compiling eomccsdt_density1_4_2.F... Compiling eomccsdt_density1_4.F... Compiling eomccsdt_density1_5_10_1.F... Compiling eomccsdt_density1_5_10_2_1.F... Compiling eomccsdt_density1_5_10_2_2_1.F... Compiling eomccsdt_density1_5_10_2_2_2.F... Compiling eomccsdt_density1_5_10_2_2.F... Compiling eomccsdt_density1_5_10_2.F... Compiling eomccsdt_density1_5_10_3_1.F... Compiling eomccsdt_density1_5_10_3.F... Compiling eomccsdt_density1_5_10.F... Compiling eomccsdt_density1_5_11_1.F... Compiling eomccsdt_density1_5_11.F... Compiling eomccsdt_density1_5_12_1.F... Compiling eomccsdt_density1_5_12.F... Compiling eomccsdt_density1_5_13_1_1.F... Compiling eomccsdt_density1_5_13_1.F... Compiling eomccsdt_density1_5_13.F... Compiling eomccsdt_density1_5_1.F... Compiling eomccsdt_density1_5_2.F... Compiling eomccsdt_density1_5_3_1.F... Compiling eomccsdt_density1_5_3_2.F... Compiling eomccsdt_density1_5_3_3.F... Compiling eomccsdt_density1_5_3_4_1.F... Compiling eomccsdt_density1_5_3_4_2.F... Compiling eomccsdt_density1_5_3_4_3.F... Compiling eomccsdt_density1_5_3_4.F... Compiling eomccsdt_density1_5_3_5_1.F... Compiling eomccsdt_density1_5_3_5_2.F... Compiling eomccsdt_density1_5_3_5.F... Compiling eomccsdt_density1_5_3_6_1.F... Compiling eomccsdt_density1_5_3_6.F... Compiling eomccsdt_density1_5_3.F... Compiling eomccsdt_density1_5_4_1.F... Compiling eomccsdt_density1_5_4_2.F... Compiling eomccsdt_density1_5_4_3.F... Compiling eomccsdt_density1_5_4.F... Compiling eomccsdt_density1_5_5_1.F... Compiling eomccsdt_density1_5_5_2.F... Compiling eomccsdt_density1_5_5_3.F... Compiling eomccsdt_density1_5_5.F... Compiling eomccsdt_density1_5_6_1.F... Compiling eomccsdt_density1_5_6_2.F... Compiling eomccsdt_density1_5_6.F... Compiling eomccsdt_density1_5_7_1.F... Compiling eomccsdt_density1_5_7.F... Compiling eomccsdt_density1_5_8_1.F... Compiling eomccsdt_density1_5_8_2.F... Compiling eomccsdt_density1_5_8_3.F... Compiling eomccsdt_density1_5_8.F... Compiling eomccsdt_density1_5_9_1.F... Compiling eomccsdt_density1_5_9_2.F... Compiling eomccsdt_density1_5_9.F... Compiling eomccsdt_density1_5.F... Compiling eomccsdt_density1_6_1.F... Compiling eomccsdt_density1_6_2.F... Compiling eomccsdt_density1_6_3_1.F... Compiling eomccsdt_density1_6_3_2.F... Compiling eomccsdt_density1_6_3.F... Compiling eomccsdt_density1_6_4_1.F... Compiling eomccsdt_density1_6_4_2.F... Compiling eomccsdt_density1_6_4.F... Compiling eomccsdt_density1_6_5_1.F... Compiling eomccsdt_density1_6_5.F... Compiling eomccsdt_density1_6.F... Compiling eomccsdt_x2a_all12.F... Compiling eomccsdt_x2a_all15.F... Compiling eomccsdt_x2a_all18.F... Compiling eomccsdt_x2a_all3.F... Compiling eomccsdt_x2a_all6.F... Compiling eomccsdt_x2a_all9.F... Compiling eomccsdt_x2_all12.F... Compiling eomccsdt_x2_all15.F... Compiling eomccsdt_x2_all18.F... Compiling eomccsdt_x2_all3.F... Compiling eomccsdt_x2_all6.F... Compiling eomccsdt_x2_all9.F... Compiling eomccsdt_x3a_all12.F... Compiling eomccsdt_x3a_all15.F... Compiling eomccsdt_x3a_all17.F... Compiling eomccsdt_x3a_all3.F... Compiling eomccsdt_x3a_all6.F... Compiling eomccsdt_x3a_all9.F... Compiling eomccsdt_x3a.F... Compiling eomccsdt_x3_all12.F... Compiling eomccsdt_x3_all15.F... Compiling eomccsdt_x3_all17.F... Compiling eomccsdt_x3_all3.F... Compiling eomccsdt_x3_all6.F... Compiling eomccsdt_x3_all9.F... Compiling eomccsdt_x3.F... Compiling eomccsdt_y1_all12.F... Compiling eomccsdt_y1_all15.F... Compiling eomccsdt_y1_all18.F... Compiling eomccsdt_y1_all20.F... Compiling eomccsdt_y1_all3.F... Compiling eomccsdt_y1_all6.F... Compiling eomccsdt_y1_all9.F... Compiling eomccsdt_y1.F... Compiling eomccsdt_y2_all12.F... Compiling eomccsdt_y2_all15.F... Compiling eomccsdt_y2_all18.F... Compiling eomccsdt_y2_all21.F... Compiling eomccsdt_y2_all24.F... Compiling eomccsdt_y2_all25.F... Compiling eomccsdt_y2_all3.F... Compiling eomccsdt_y2_all6.F... Compiling eomccsdt_y2_all9.F... Compiling eomccsdt_y2.F... Compiling OFFSET_eomccsdt_1.F... Compiling OFFSET_eomccsdt_2.F... Compiling OFFSET_eomccsdt_3.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsdt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsdt' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a eomccsdt_x1.o eomccsdt_x2.o eomccsdt_y3.o eomccsdt_density1.o eomccsdt_denominator.o eomccsdt_x1a.o eomccsdt_x2a.o eomccsdt_density1_1_1.o eomccsdt_density1_1_2.o eomccsdt_density1_1_3.o eomccsdt_density1_1.o eomccsdt_density1_2_1.o eomccsdt_density1_2_2_1.o eomccsdt_density1_2_2.o eomccsdt_density1_2.o eomccsdt_density1_3_1.o eomccsdt_density1_3_2.o eomccsdt_density1_3_3.o eomccsdt_density1_3_4_1.o eomccsdt_density1_3_4_2.o eomccsdt_density1_3_4_3.o eomccsdt_density1_3_4.o eomccsdt_density1_3_5_1.o eomccsdt_density1_3_5_2.o eomccsdt_density1_3_5.o eomccsdt_density1_3_6_1.o eomccsdt_density1_3_6.o eomccsdt_density1_3.o eomccsdt_density1_4_1.o eomccsdt_density1_4_2_1.o eomccsdt_density1_4_2.o eomccsdt_density1_4.o eomccsdt_density1_5_10_1.o eomccsdt_density1_5_10_2_1.o eomccsdt_density1_5_10_2_2_1.o eomccsdt_density1_5_10_2_2_2.o eomccsdt_density1_5_10_2_2.o eomccsdt_density1_5_10_2.o eomccsdt_density1_5_10_3_1.o eomccsdt_density1_5_10_3.o eomccsdt_density1_5_10.o eomccsdt_density1_5_11_1.o eomccsdt_density1_5_11.o eomccsdt_density1_5_12_1.o eomccsdt_density1_5_12.o eomccsdt_density1_5_13_1_1.o eomccsdt_density1_5_13_1.o eomccsdt_density1_5_13.o eomccsdt_density1_5_1.o eomccsdt_density1_5_2.o eomccsdt_density1_5_3_1.o eomccsdt_density1_5_3_2.o eomccsdt_density1_5_3_3.o eomccsdt_density1_5_3_4_1.o eomccsdt_density1_5_3_4_2.o eomccsdt_density1_5_3_4_3.o eomccsdt_density1_5_3_4.o eomccsdt_density1_5_3_5_1.o eomccsdt_density1_5_3_5_2.o eomccsdt_density1_5_3_5.o eomccsdt_density1_5_3_6_1.o eomccsdt_density1_5_3_6.o eomccsdt_density1_5_3.o eomccsdt_density1_5_4_1.o eomccsdt_density1_5_4_2.o eomccsdt_density1_5_4_3.o eomccsdt_density1_5_4.o eomccsdt_density1_5_5_1.o eomccsdt_density1_5_5_2.o eomccsdt_density1_5_5_3.o eomccsdt_density1_5_5.o eomccsdt_density1_5_6_1.o eomccsdt_density1_5_6_2.o eomccsdt_density1_5_6.o eomccsdt_density1_5_7_1.o eomccsdt_density1_5_7.o eomccsdt_density1_5_8_1.o eomccsdt_density1_5_8_2.o eomccsdt_density1_5_8_3.o eomccsdt_density1_5_8.o eomccsdt_density1_5_9_1.o eomccsdt_density1_5_9_2.o eomccsdt_density1_5_9.o eomccsdt_density1_5.o eomccsdt_density1_6_1.o eomccsdt_density1_6_2.o eomccsdt_density1_6_3_1.o eomccsdt_density1_6_3_2.o eomccsdt_density1_6_3.o eomccsdt_density1_6_4_1.o eomccsdt_density1_6_4_2.o eomccsdt_density1_6_4.o eomccsdt_density1_6_5_1.o eomccsdt_density1_6_5.o eomccsdt_density1_6.o eomccsdt_x2a_all12.o eomccsdt_x2a_all15.o eomccsdt_x2a_all18.o eomccsdt_x2a_all3.o eomccsdt_x2a_all6.o eomccsdt_x2a_all9.o eomccsdt_x2_all12.o eomccsdt_x2_all15.o eomccsdt_x2_all18.o eomccsdt_x2_all3.o eomccsdt_x2_all6.o eomccsdt_x2_all9.o eomccsdt_x3a_all12.o eomccsdt_x3a_all15.o eomccsdt_x3a_all17.o eomccsdt_x3a_all3.o eomccsdt_x3a_all6.o eomccsdt_x3a_all9.o eomccsdt_x3a.o eomccsdt_x3_all12.o eomccsdt_x3_all15.o eomccsdt_x3_all17.o eomccsdt_x3_all3.o eomccsdt_x3_all6.o eomccsdt_x3_all9.o eomccsdt_x3.o eomccsdt_y1_all12.o eomccsdt_y1_all15.o eomccsdt_y1_all18.o eomccsdt_y1_all20.o eomccsdt_y1_all3.o eomccsdt_y1_all6.o eomccsdt_y1_all9.o eomccsdt_y1.o eomccsdt_y2_all12.o eomccsdt_y2_all15.o eomccsdt_y2_all18.o eomccsdt_y2_all21.o eomccsdt_y2_all24.o eomccsdt_y2_all25.o eomccsdt_y2_all3.o eomccsdt_y2_all6.o eomccsdt_y2_all9.o eomccsdt_y2.o OFFSET_eomccsdt_1.o OFFSET_eomccsdt_2.o OFFSET_eomccsdt_3.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsdt' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsdt' Making all in ccsd_alpha make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_alpha' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_alpha' Compiling alpha_1_1_1.F... Compiling alpha_1_1_2.F... Compiling alpha_1_1_3_1.F... Compiling alpha_1_1_3_2.F... Compiling alpha_1_1_3.F... Compiling alpha_1_1_4_1.F... Compiling alpha_1_1_4_2.F... Compiling alpha_1_1_4.F... Compiling alpha_1_1_5_1.F... Compiling alpha_1_1_5.F... Compiling alpha_1_1_6_1.F... Compiling alpha_1_1_6.F... Compiling alpha_1_1.F... Compiling alpha_1_2_1.F... Compiling alpha_1_2_2.F... Compiling alpha_1_2.F... Compiling alpha_1_3_1.F... Compiling alpha_1_3.F... Compiling alpha_1_4_1.F... Compiling alpha_1_4.F... Compiling alpha_1.F... Compiling alpha_2_1_1.F... Compiling alpha_2_1.F... Compiling alpha_2_2_1_1.F... Compiling alpha_2_2_1_2.F... Compiling alpha_2_2_1.F... Compiling alpha_2_2_2_1.F... Compiling alpha_2_2_2_2.F... Compiling alpha_2_2_2.F... Compiling alpha_2_2_3_1.F... Compiling alpha_2_2_3.F... Compiling alpha_2_2_4_1.F... Compiling alpha_2_2_4.F... Compiling alpha_2_2.F... Compiling alpha_2_3_1_1.F... Compiling alpha_2_3_1_2.F... Compiling alpha_2_3_1_3_1.F... Compiling alpha_2_3_1_3.F... Compiling alpha_2_3_1_4_1.F... Compiling alpha_2_3_1_4.F... Compiling alpha_2_3_1.F... Compiling alpha_2_3_2_1.F... Compiling alpha_2_3_2_2.F... Compiling alpha_2_3_2_3_1.F... Compiling alpha_2_3_2_3.F... Compiling alpha_2_3_2_4_1.F... Compiling alpha_2_3_2_4.F... Compiling alpha_2_3_2.F... Compiling alpha_2_3_3_1.F... Compiling alpha_2_3_3.F... Compiling alpha_2_3_4_1.F... Compiling alpha_2_3_4.F... Compiling alpha_2_3_5_1.F... Compiling alpha_2_3_5.F... Compiling alpha_2_3_6_1.F... Compiling alpha_2_3_6.F... Compiling alpha_2_3_7_1.F... Compiling alpha_2_3_7.F... Compiling alpha_2_3_8_1.F... Compiling alpha_2_3_8.F... Compiling alpha_2_3_9_1_1.F... Compiling alpha_2_3_9_1.F... Compiling alpha_2_3_9_2_1.F... Compiling alpha_2_3_9_2.F... Compiling alpha_2_3_9.F... Compiling alpha_2_3.F... Compiling alpha_2_4_1_1.F... Compiling alpha_2_4_1.F... Compiling alpha_2_4.F... Compiling alpha_2_5_10_1_1.F... Compiling alpha_2_5_10_1.F... Compiling alpha_2_5_10_2_1.F... Compiling alpha_2_5_10_2.F... Compiling alpha_2_5_10_3_1.F... Compiling alpha_2_5_10_3.F... Compiling alpha_2_5_10_4_1.F... Compiling alpha_2_5_10_4.F... Compiling alpha_2_5_10_5_1.F... Compiling alpha_2_5_10_5.F... Compiling alpha_2_5_10_6_1.F... Compiling alpha_2_5_10_6.F... Compiling alpha_2_5_10_7_1.F... Compiling alpha_2_5_10_7.F... Compiling alpha_2_5_10_8_1_1.F... Compiling alpha_2_5_10_8_1.F... Compiling alpha_2_5_10_8.F... Compiling alpha_2_5_10.F... Compiling alpha_2_5_11_1_1.F... Compiling alpha_2_5_11_1.F... Compiling alpha_2_5_1_1.F... Compiling alpha_2_5_11.F... Compiling alpha_2_5_12_1_1.F... Compiling alpha_2_5_12_1.F... Compiling alpha_2_5_1_2.F... Compiling alpha_2_5_12.F... Compiling alpha_2_5_13_1_1.F... Compiling alpha_2_5_1_3_1.F... Compiling alpha_2_5_13_1.F... Compiling alpha_2_5_13_2_1.F... Compiling alpha_2_5_13_2.F... Compiling alpha_2_5_1_3.F... Compiling alpha_2_5_13.F... Compiling alpha_2_5_14_1_1.F... Compiling alpha_2_5_14_1.F... Compiling alpha_2_5_14_2_1.F... Compiling alpha_2_5_14_2.F... Compiling alpha_2_5_14.F... Compiling alpha_2_5_1.F... Compiling alpha_2_5_2_1.F... Compiling alpha_2_5_2.F... Compiling alpha_2_5_3_1.F... Compiling alpha_2_5_3_2.F... Compiling alpha_2_5_3.F... Compiling alpha_2_5_4_1.F... Compiling alpha_2_5_4_2_1.F... Compiling alpha_2_5_4_2.F... Compiling alpha_2_5_4.F... Compiling alpha_2_5_5_1.F... Compiling alpha_2_5_5_2.F... Compiling alpha_2_5_5.F... Compiling alpha_2_5_6_1.F... Compiling alpha_2_5_6.F... Compiling alpha_2_5_7_1.F... Compiling alpha_2_5_7.F... Compiling alpha_2_5_8_1.F... Compiling alpha_2_5_8.F... Compiling alpha_2_5_9_1.F... Compiling alpha_2_5_9.F... Compiling alpha_2_5.F... Compiling alpha_2_6_1_1.F... Compiling alpha_2_6_1.F... Compiling alpha_2_6.F... Compiling alpha_2_7_1_1.F... Compiling alpha_2_7_1_2_1.F... Compiling alpha_2_7_1_2.F... Compiling alpha_2_7_1.F... Compiling alpha_2_7_2_1.F... Compiling alpha_2_7_2.F... Compiling alpha_2_7_3_1.F... Compiling alpha_2_7_3.F... Compiling alpha_2_7_4_1.F... Compiling alpha_2_7_4_2_1.F... Compiling alpha_2_7_4_2.F... Compiling alpha_2_7_4.F... Compiling alpha_2_7_5_1.F... Compiling alpha_2_7_5.F... Compiling alpha_2_7_6_1.F... Compiling alpha_2_7_6.F... Compiling alpha_2_7_7_1_1.F... Compiling alpha_2_7_7_1.F... Compiling alpha_2_7_7.F... Compiling alpha_2_7.F... Compiling alpha_2_8_1_1.F... Compiling alpha_2_8_1.F... Compiling alpha_2_8_2_1.F... Compiling alpha_2_8_2.F... Compiling alpha_2_8_3_1.F... Compiling alpha_2_8_3.F... Compiling alpha_2_8_4_1_1.F... Compiling alpha_2_8_4_1_2_1.F... Compiling alpha_2_8_4_1_2.F... Compiling alpha_2_8_4_1.F... Compiling alpha_2_8_4_2_1.F... Compiling alpha_2_8_4_2.F... Compiling alpha_2_8_4_3_1.F... Compiling alpha_2_8_4_3_2_1.F... Compiling alpha_2_8_4_3_2.F... Compiling alpha_2_8_4_3.F... Compiling alpha_2_8_4_4_1.F... Compiling alpha_2_8_4_4.F... Compiling alpha_2_8_4_5_1_1.F... Compiling alpha_2_8_4_5_1.F... Compiling alpha_2_8_4_5.F... Compiling alpha_2_8_4.F... Compiling alpha_2_8_5_1_1.F... Compiling alpha_2_8_5_1.F... Compiling alpha_2_8_5_2_1.F... Compiling alpha_2_8_5_2.F... Compiling alpha_2_8_5.F... Compiling alpha_2_8_6_1_1.F... Compiling alpha_2_8_6_1.F... Compiling alpha_2_8_6_2_1.F... Compiling alpha_2_8_6_2.F... Compiling alpha_2_8_6_3_1.F... Compiling alpha_2_8_6_3.F... Compiling alpha_2_8_6_4_1.F... Compiling alpha_2_8_6_4.F... Compiling alpha_2_8_6.F... Compiling alpha_2_8_7_1_1.F... Compiling alpha_2_8_7_1.F... Compiling alpha_2_8_7.F... Compiling alpha_2_8_8_1_1.F... Compiling alpha_2_8_8_1.F... Compiling alpha_2_8_8.F... Compiling alpha_2_8.F... Compiling alpha_2.F... Compiling dip_r_1_1.F... Compiling dip_r_1_2.F... Compiling dip_r_1.F... Compiling dip_r_2.F... Compiling dip_r.F... Compiling offset_alpha_1_1_1.F... Compiling offset_alpha_1_1_3_1.F... Compiling offset_alpha_1_1_4_1.F... Compiling offset_alpha_1_1_5_1.F... Compiling offset_alpha_1_1_6_1.F... Compiling offset_alpha_1_2_1.F... Compiling offset_alpha_1_3_1.F... Compiling offset_alpha_1_4_1.F... Compiling offset_alpha_2_1_1.F... Compiling offset_alpha_2_2_1_1.F... Compiling offset_alpha_2_2_1.F... Compiling offset_alpha_2_2_2_1.F... Compiling offset_alpha_2_2_3_1.F... Compiling offset_alpha_2_2_4_1.F... Compiling offset_alpha_2_3_1_1.F... Compiling offset_alpha_2_3_1_3_1.F... Compiling offset_alpha_2_3_1_4_1.F... Compiling offset_alpha_2_3_1.F... Compiling offset_alpha_2_3_2_1.F... Compiling offset_alpha_2_3_2_3_1.F... Compiling offset_alpha_2_3_2_4_1.F... Compiling offset_alpha_2_3_3_1.F... Compiling offset_alpha_2_3_4_1.F... Compiling offset_alpha_2_3_5_1.F... Compiling offset_alpha_2_3_6_1.F... Compiling offset_alpha_2_3_7_1.F... Compiling offset_alpha_2_3_8_1.F... Compiling offset_alpha_2_3_9_1_1.F... Compiling offset_alpha_2_3_9_1.F... Compiling offset_alpha_2_3_9_2_1.F... Compiling offset_alpha_2_4_1_1.F... Compiling offset_alpha_2_4_1.F... Compiling offset_alpha_2_5_10_1_1.F... Compiling offset_alpha_2_5_10_1.F... Compiling offset_alpha_2_5_10_2_1.F... Compiling offset_alpha_2_5_10_3_1.F... Compiling offset_alpha_2_5_10_4_1.F... Compiling offset_alpha_2_5_10_5_1.F... Compiling offset_alpha_2_5_10_6_1.F... Compiling offset_alpha_2_5_10_7_1.F... Compiling offset_alpha_2_5_10_8_1_1.F... Compiling offset_alpha_2_5_10_8_1.F... Compiling offset_alpha_2_5_11_1_1.F... Compiling offset_alpha_2_5_11_1.F... Compiling offset_alpha_2_5_1_1.F... Compiling offset_alpha_2_5_12_1_1.F... Compiling offset_alpha_2_5_12_1.F... Compiling offset_alpha_2_5_13_1_1.F... Compiling offset_alpha_2_5_1_3_1.F... Compiling offset_alpha_2_5_13_1.F... Compiling offset_alpha_2_5_13_2_1.F... Compiling offset_alpha_2_5_14_1_1.F... Compiling offset_alpha_2_5_14_1.F... Compiling offset_alpha_2_5_14_2_1.F... Compiling offset_alpha_2_5_1.F... Compiling offset_alpha_2_5_2_1.F... Compiling offset_alpha_2_5_3_1.F... Compiling offset_alpha_2_5_4_1.F... Compiling offset_alpha_2_5_4_2_1.F... Compiling offset_alpha_2_5_5_1.F... Compiling offset_alpha_2_5_6_1.F... Compiling offset_alpha_2_5_7_1.F... Compiling offset_alpha_2_5_8_1.F... Compiling offset_alpha_2_5_9_1.F... Compiling offset_alpha_2_6_1_1.F... Compiling offset_alpha_2_6_1.F... Compiling offset_alpha_2_7_1_1.F... Compiling offset_alpha_2_7_1_2_1.F... Compiling offset_alpha_2_7_1.F... Compiling offset_alpha_2_7_2_1.F... Compiling offset_alpha_2_7_3_1.F... Compiling offset_alpha_2_7_4_1.F... Compiling offset_alpha_2_7_4_2_1.F... Compiling offset_alpha_2_7_5_1.F... Compiling offset_alpha_2_7_6_1.F... Compiling offset_alpha_2_7_7_1_1.F... Compiling offset_alpha_2_7_7_1.F... Compiling offset_alpha_2_8_1_1.F... Compiling offset_alpha_2_8_1.F... Compiling offset_alpha_2_8_2_1.F... Compiling offset_alpha_2_8_3_1.F... Compiling offset_alpha_2_8_4_1_1.F... Compiling offset_alpha_2_8_4_1_2_1.F... Compiling offset_alpha_2_8_4_1.F... Compiling offset_alpha_2_8_4_2_1.F... Compiling offset_alpha_2_8_4_3_1.F... Compiling offset_alpha_2_8_4_3_2_1.F... Compiling offset_alpha_2_8_4_4_1.F... Compiling offset_alpha_2_8_4_5_1_1.F... Compiling offset_alpha_2_8_4_5_1.F... Compiling offset_alpha_2_8_5_1_1.F... Compiling offset_alpha_2_8_5_1.F... Compiling offset_alpha_2_8_5_2_1.F... Compiling offset_alpha_2_8_6_1_1.F... Compiling offset_alpha_2_8_6_1.F... Compiling offset_alpha_2_8_6_2_1.F... Compiling offset_alpha_2_8_6_3_1.F... Compiling offset_alpha_2_8_6_4_1.F... Compiling offset_alpha_2_8_7_1_1.F... Compiling offset_alpha_2_8_7_1.F... Compiling offset_alpha_2_8_8_1_1.F... Compiling offset_alpha_2_8_8_1.F... Compiling offset_dip_r_1_1.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_alpha' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_alpha' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a alpha_1_1_1.o alpha_1_1_2.o alpha_1_1_3_1.o alpha_1_1_3_2.o alpha_1_1_3.o alpha_1_1_4_1.o alpha_1_1_4_2.o alpha_1_1_4.o alpha_1_1_5_1.o alpha_1_1_5.o alpha_1_1_6_1.o alpha_1_1_6.o alpha_1_1.o alpha_1_2_1.o alpha_1_2_2.o alpha_1_2.o alpha_1_3_1.o alpha_1_3.o alpha_1_4_1.o alpha_1_4.o alpha_1.o alpha_2_1_1.o alpha_2_1.o alpha_2_2_1_1.o alpha_2_2_1_2.o alpha_2_2_1.o alpha_2_2_2_1.o alpha_2_2_2_2.o alpha_2_2_2.o alpha_2_2_3_1.o alpha_2_2_3.o alpha_2_2_4_1.o alpha_2_2_4.o alpha_2_2.o alpha_2_3_1_1.o alpha_2_3_1_2.o alpha_2_3_1_3_1.o alpha_2_3_1_3.o alpha_2_3_1_4_1.o alpha_2_3_1_4.o alpha_2_3_1.o alpha_2_3_2_1.o alpha_2_3_2_2.o alpha_2_3_2_3_1.o alpha_2_3_2_3.o alpha_2_3_2_4_1.o alpha_2_3_2_4.o alpha_2_3_2.o alpha_2_3_3_1.o alpha_2_3_3.o alpha_2_3_4_1.o alpha_2_3_4.o alpha_2_3_5_1.o alpha_2_3_5.o alpha_2_3_6_1.o alpha_2_3_6.o alpha_2_3_7_1.o alpha_2_3_7.o alpha_2_3_8_1.o alpha_2_3_8.o alpha_2_3_9_1_1.o alpha_2_3_9_1.o alpha_2_3_9_2_1.o alpha_2_3_9_2.o alpha_2_3_9.o alpha_2_3.o alpha_2_4_1_1.o alpha_2_4_1.o alpha_2_4.o alpha_2_5_10_1_1.o alpha_2_5_10_1.o alpha_2_5_10_2_1.o alpha_2_5_10_2.o alpha_2_5_10_3_1.o alpha_2_5_10_3.o alpha_2_5_10_4_1.o alpha_2_5_10_4.o alpha_2_5_10_5_1.o alpha_2_5_10_5.o alpha_2_5_10_6_1.o alpha_2_5_10_6.o alpha_2_5_10_7_1.o alpha_2_5_10_7.o alpha_2_5_10_8_1_1.o alpha_2_5_10_8_1.o alpha_2_5_10_8.o alpha_2_5_10.o alpha_2_5_11_1_1.o alpha_2_5_11_1.o alpha_2_5_1_1.o alpha_2_5_11.o alpha_2_5_12_1_1.o alpha_2_5_12_1.o alpha_2_5_1_2.o alpha_2_5_12.o alpha_2_5_13_1_1.o alpha_2_5_1_3_1.o alpha_2_5_13_1.o alpha_2_5_13_2_1.o alpha_2_5_13_2.o alpha_2_5_1_3.o alpha_2_5_13.o alpha_2_5_14_1_1.o alpha_2_5_14_1.o alpha_2_5_14_2_1.o alpha_2_5_14_2.o alpha_2_5_14.o alpha_2_5_1.o alpha_2_5_2_1.o alpha_2_5_2.o alpha_2_5_3_1.o alpha_2_5_3_2.o alpha_2_5_3.o alpha_2_5_4_1.o alpha_2_5_4_2_1.o alpha_2_5_4_2.o alpha_2_5_4.o alpha_2_5_5_1.o alpha_2_5_5_2.o alpha_2_5_5.o alpha_2_5_6_1.o alpha_2_5_6.o alpha_2_5_7_1.o alpha_2_5_7.o alpha_2_5_8_1.o alpha_2_5_8.o alpha_2_5_9_1.o alpha_2_5_9.o alpha_2_5.o alpha_2_6_1_1.o alpha_2_6_1.o alpha_2_6.o alpha_2_7_1_1.o alpha_2_7_1_2_1.o alpha_2_7_1_2.o alpha_2_7_1.o alpha_2_7_2_1.o alpha_2_7_2.o alpha_2_7_3_1.o alpha_2_7_3.o alpha_2_7_4_1.o alpha_2_7_4_2_1.o alpha_2_7_4_2.o alpha_2_7_4.o alpha_2_7_5_1.o alpha_2_7_5.o alpha_2_7_6_1.o alpha_2_7_6.o alpha_2_7_7_1_1.o alpha_2_7_7_1.o alpha_2_7_7.o alpha_2_7.o alpha_2_8_1_1.o alpha_2_8_1.o alpha_2_8_2_1.o alpha_2_8_2.o alpha_2_8_3_1.o alpha_2_8_3.o alpha_2_8_4_1_1.o alpha_2_8_4_1_2_1.o alpha_2_8_4_1_2.o alpha_2_8_4_1.o alpha_2_8_4_2_1.o alpha_2_8_4_2.o alpha_2_8_4_3_1.o alpha_2_8_4_3_2_1.o alpha_2_8_4_3_2.o alpha_2_8_4_3.o alpha_2_8_4_4_1.o alpha_2_8_4_4.o alpha_2_8_4_5_1_1.o alpha_2_8_4_5_1.o alpha_2_8_4_5.o alpha_2_8_4.o alpha_2_8_5_1_1.o alpha_2_8_5_1.o alpha_2_8_5_2_1.o alpha_2_8_5_2.o alpha_2_8_5.o alpha_2_8_6_1_1.o alpha_2_8_6_1.o alpha_2_8_6_2_1.o alpha_2_8_6_2.o alpha_2_8_6_3_1.o alpha_2_8_6_3.o alpha_2_8_6_4_1.o alpha_2_8_6_4.o alpha_2_8_6.o alpha_2_8_7_1_1.o alpha_2_8_7_1.o alpha_2_8_7.o alpha_2_8_8_1_1.o alpha_2_8_8_1.o alpha_2_8_8.o alpha_2_8.o alpha_2.o dip_r_1_1.o dip_r_1_2.o dip_r_1.o dip_r_2.o dip_r.o offset_alpha_1_1_1.o offset_alpha_1_1_3_1.o offset_alpha_1_1_4_1.o offset_alpha_1_1_5_1.o offset_alpha_1_1_6_1.o offset_alpha_1_2_1.o offset_alpha_1_3_1.o offset_alpha_1_4_1.o offset_alpha_2_1_1.o offset_alpha_2_2_1_1.o offset_alpha_2_2_1.o offset_alpha_2_2_2_1.o offset_alpha_2_2_3_1.o offset_alpha_2_2_4_1.o offset_alpha_2_3_1_1.o offset_alpha_2_3_1_3_1.o offset_alpha_2_3_1_4_1.o offset_alpha_2_3_1.o offset_alpha_2_3_2_1.o offset_alpha_2_3_2_3_1.o offset_alpha_2_3_2_4_1.o offset_alpha_2_3_3_1.o offset_alpha_2_3_4_1.o offset_alpha_2_3_5_1.o offset_alpha_2_3_6_1.o offset_alpha_2_3_7_1.o offset_alpha_2_3_8_1.o offset_alpha_2_3_9_1_1.o offset_alpha_2_3_9_1.o offset_alpha_2_3_9_2_1.o offset_alpha_2_4_1_1.o offset_alpha_2_4_1.o offset_alpha_2_5_10_1_1.o offset_alpha_2_5_10_1.o offset_alpha_2_5_10_2_1.o offset_alpha_2_5_10_3_1.o offset_alpha_2_5_10_4_1.o offset_alpha_2_5_10_5_1.o offset_alpha_2_5_10_6_1.o offset_alpha_2_5_10_7_1.o offset_alpha_2_5_10_8_1_1.o offset_alpha_2_5_10_8_1.o offset_alpha_2_5_11_1_1.o offset_alpha_2_5_11_1.o offset_alpha_2_5_1_1.o offset_alpha_2_5_12_1_1.o offset_alpha_2_5_12_1.o offset_alpha_2_5_13_1_1.o offset_alpha_2_5_1_3_1.o offset_alpha_2_5_13_1.o offset_alpha_2_5_13_2_1.o offset_alpha_2_5_14_1_1.o offset_alpha_2_5_14_1.o offset_alpha_2_5_14_2_1.o offset_alpha_2_5_1.o offset_alpha_2_5_2_1.o offset_alpha_2_5_3_1.o offset_alpha_2_5_4_1.o offset_alpha_2_5_4_2_1.o offset_alpha_2_5_5_1.o offset_alpha_2_5_6_1.o offset_alpha_2_5_7_1.o offset_alpha_2_5_8_1.o offset_alpha_2_5_9_1.o offset_alpha_2_6_1_1.o offset_alpha_2_6_1.o offset_alpha_2_7_1_1.o offset_alpha_2_7_1_2_1.o offset_alpha_2_7_1.o offset_alpha_2_7_2_1.o offset_alpha_2_7_3_1.o offset_alpha_2_7_4_1.o offset_alpha_2_7_4_2_1.o offset_alpha_2_7_5_1.o offset_alpha_2_7_6_1.o offset_alpha_2_7_7_1_1.o offset_alpha_2_7_7_1.o offset_alpha_2_8_1_1.o offset_alpha_2_8_1.o offset_alpha_2_8_2_1.o offset_alpha_2_8_3_1.o offset_alpha_2_8_4_1_1.o offset_alpha_2_8_4_1_2_1.o offset_alpha_2_8_4_1.o offset_alpha_2_8_4_2_1.o offset_alpha_2_8_4_3_1.o offset_alpha_2_8_4_3_2_1.o offset_alpha_2_8_4_4_1.o offset_alpha_2_8_4_5_1_1.o offset_alpha_2_8_4_5_1.o offset_alpha_2_8_5_1_1.o offset_alpha_2_8_5_1.o offset_alpha_2_8_5_2_1.o offset_alpha_2_8_6_1_1.o offset_alpha_2_8_6_1.o offset_alpha_2_8_6_2_1.o offset_alpha_2_8_6_3_1.o offset_alpha_2_8_6_4_1.o offset_alpha_2_8_7_1_1.o offset_alpha_2_8_7_1.o offset_alpha_2_8_8_1_1.o offset_alpha_2_8_8_1.o offset_dip_r_1_1.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_alpha' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_alpha' Making all in ccsd_beta make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_beta' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_beta' Compiling beta_1_all.F... Compiling beta_2_all.F... Compiling beta_3_all.F... Compiling beta_4_all.F... Compiling beta_all_offsets.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_beta' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_beta' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a beta_1_all.o beta_2_all.o beta_3_all.o beta_4_all.o beta_all_offsets.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_beta' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_beta' Making all in ccsd_yr make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_yr' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_yr' Compiling ccsd_y_o1.F... Compiling ccsd_y_o2.F... Compiling ccsd_yr1.F... Compiling ccsd_yr2.F... Compiling ccsd_y_tr1.F... Compiling ccsd_y_tr2.F... Compiling alpha_2_yr.F... Compiling ccsd_lr_d1_hh.F... Compiling ccsd_lr_d1_ph.F... Compiling ccsd_lr_d1_hp.F... Compiling ccsd_lr_d1_pp.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_yr' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_yr' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a ccsd_y_o1.o ccsd_y_o2.o ccsd_yr1.o ccsd_yr2.o ccsd_y_tr1.o ccsd_y_tr2.o alpha_2_yr.o ccsd_lr_d1_hh.o ccsd_lr_d1_ph.o ccsd_lr_d1_hp.o ccsd_lr_d1_pp.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_yr' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_yr' Making all in response make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/response' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/response' Compiling ccsd_o1.F... Compiling ccsd_o2.F... Compiling eomccsd_o1.F... Compiling eomccsd_o2.F... Compiling ccsdt_o1.F... Compiling ccsdt_o2.F... Compiling ccsdt_o3.F... Compiling ccsdtq_o1.F... Compiling ccsdtq_o2.F... Compiling ccsdtq_o3.F... Compiling ccsdtq_o4.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/response' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/response' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a ccsd_o1.o ccsd_o2.o eomccsd_o1.o eomccsd_o2.o ccsdt_o1.o ccsdt_o2.o ccsdt_o3.o ccsdtq_o1.o ccsdtq_o2.o ccsdtq_o3.o ccsdtq_o4.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/response' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/response' Making all in mrcc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc' Compiling tce_mrcc_input.F... tce_mrcc_input.F:127:55: 87 | if (.not.rtdb_put(rtdb,'mrcc:usescffermiv',mt_log,1,.true.)) | 2 ...... 127 | if (.not.rtdb_put(rtdb,'mrcc:subsize',mt_int,1,isubsize)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc' Making all in include make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/include' Compiling tce_mrcc_energy.F... tce_mrcc_energy.F:207:57: 203 | if (.not.rtdb_get(rtdb,'mrcc:debug',mt_log,1,mrccdebug)) | 2 ...... 207 | if (.not.rtdb_get(rtdb,'mrcc:icheckpoint',mt_int,1,icheckpoint)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tce_mrcc_energy.F:2160:54: 365 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 2 ...... 2160 | if (.not.rtdb_put(rtdb,'tce:energy',mt_dbl,1,epsilon+enrep)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tce_mrcc_energy.F:3172:72: 3172 | call errquit('tce_mrcc_energy: unkown method',INPUT_ERR) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/include' Compiling tce_mrcc_readref.F... Compiling tce_mrcc_calcexcit.F... Compiling tce_mrcc_sortint.F... Compiling tce_mrcc_tile.F... tce_mrcc_tile.F:180:50: 163 | if (rtdb_get(rtdb,'tce:tilesize',mt_int,1,jsize)) then | 2 ...... 180 | if (.not.rtdb_get(rtdb,'tce:vcut',mt_dbl,1,vcut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tce_mrcc_tile.F:671:72: 671 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_mrcc_tile.F:45:23: 45 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here Compiling tce_mrcc_macpy.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/include' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/include' Making all in ccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd' Compiling tce_mrcc_fillindexarray.F... Compiling tce_mrcc_uhf.F... Compiling create_mr_evl_sorted.F... Compiling pgcreatefile.F... Compiling tce_mrcc_mo2e.F... Compiling tce_mrcc_ao2e.F... make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd' Compiling tce_subnxtask.F... tce_subnxtask.F:85:72: 85 | end | ^ Warning: '__result_nxtasksub' may be used uninitialized [-Wmaybe-uninitialized] tce_subnxtask.F:1:32: 1 | integer function nxtasksub(nproc,ichunk,p_handle) | ^ note: '__result_nxtasksub' was declared here Compiling tce_mrcc_sublock.c... Compiling eaf_mrcc.F... Compiling tce_t3ac_offset.F... Compiling tce_t4ac_offset.F... Compiling tce_mrcc_refs_sym.F... Compiling mr_ccsd_e.F... Compiling tce_mrcc_force_orben.F... Compiling mr_ccsd_t1.F... Compiling tce_mrcc_diis_init.F... Compiling mr_ccsd_t2.F... Compiling tce_mrcc_heff.F... Compiling mr_ccsd_dcl.F... tce_mrcc_heff.F:1274:58: 1231 | if (.not.rtdb_get(rtdb,'mrcc:zignore',mt_int,1,iignore)) | 2 ...... 1274 | if (.not.rtdb_get(rtdb,'mrcc:rootmuc'//ds,mt_dbl,1,dvalue)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tce_mrcc_heff.F:1454:46: 1224 | call ga_brdcst(Msg_Vec_EVal+21,dbl_mb(k_sqc), | 2 ...... 1454 | call ga_brdcst(Msg_Vec_EVal+MSGINT+30,mkroot,inntsize, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling tce_mrcc_diis.F... Compiling T2_C2_1.F... Compiling tce_mrcc_jacobi_t1.F... Compiling T2_C2.F... Compiling tce_mrcc_jacobi_t2.F... Compiling T2_pg_C2_1.F... tce_mrcc_heff.F:1621:28: 1621 | IF ((nxt.eq.count).or.(.not.limprovet)) THEN | ^ Warning: 'count' may be used uninitialized [-Wmaybe-uninitialized] tce_mrcc_heff.F:1506:21: 1506 | INTEGER count | ^ note: 'count' was declared here Compiling tce_mrcc_gacp.F... Compiling T2_pg_C2.F... Compiling tce_mrcc_daxfile.F... Compiling tce_mrcc_diis_tidy.F... Compiling tce_jacobi_sub_t1.F... Compiling tce_jacobi_sub_t2.F... Compiling tce_mrcc_c1.F... Compiling tce_mrcc_c1_offset.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd' Compiling tce_mrcc_c2.F... make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd' Compiling tce_mrcc_c2_offset.F... Compiling tce_mrcc_mul_1.F... Compiling tce_mrcc_mul_2.F... Compiling tce_mrcc_diis_save.F... Compiling tce_mrcc_diis_new.F... Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a mr_ccsd_e.o mr_ccsd_t1.o mr_ccsd_t2.o mr_ccsd_dcl.o T2_C2_1.o T2_C2.o T2_pg_C2_1.o T2_pg_C2.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd' Making all in ccsd_sub make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd_sub' Compiling tce_mrcc_create_cas1.F... tce_mrcc_create_cas1.F:109:14: 109 | if(k.le.(id+ia)) iacounts(k) = 1 | ^ Warning: 'ia' may be used uninitialized [-Wmaybe-uninitialized] tce_mrcc_create_cas1.F:24:21: 24 | integer id,ia,ib | ^ note: 'ia' was declared here tce_mrcc_create_cas1.F:119:72: 119 | do k=1,id+ib | ^ Warning: 'ib' may be used uninitialized [-Wmaybe-uninitialized] tce_mrcc_create_cas1.F:24:24: 24 | integer id,ia,ib | ^ note: 'ib' was declared here tce_mrcc_create_cas1.F:119:72: 119 | do k=1,id+ib | ^ Warning: 'id' may be used uninitialized [-Wmaybe-uninitialized] tce_mrcc_create_cas1.F:24:18: 24 | integer id,ia,ib | ^ note: 'id' was declared here Compiling atpart_nalength_mrcc.F... Compiling new_ga4ind_N5uhf_mrcc_lm2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd_sub' Compiling ccsd_st1.F... Compiling ccsd_st2.F... Compiling ccsd_se.F... Compiling ccsd_dcl_sub.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd_sub' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd_sub' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a ccsd_st1.o ccsd_st2.o ccsd_se.o ccsd_dcl_sub.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd_sub' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd_sub' Making all in ccsd_t make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd_t' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd_t' Compiling tce_mrcc_q3vnt1.F... Compiling tce_mrcc_q3vnt2.F... Compiling tce_mrcc_q3fnt2.F... Compiling tce_mrcc_ccsdpt.F... Compiling tce_mrcc_ccsdpt_subg.F... Compiling tce_mrcc_q3vnt1_subg.F... Compiling tce_mrcc_q3fnt2_subg.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd_t' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd_t' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a tce_mrcc_q3vnt1.o tce_mrcc_q3vnt2.o tce_mrcc_q3fnt2.o tce_mrcc_ccsdpt.o tce_mrcc_ccsdpt_subg.o tce_mrcc_q3vnt1_subg.o tce_mrcc_q3fnt2_subg.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd_t' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd_t' Making all in uss make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/uss' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/uss' Compiling tce_uss_offdiagonal_1.F... tce_uss_offdiagonal_1.F:376:11: 376 | if(ioff1.ne.ioff) then | ^ Warning: 'ioff' may be used uninitialized [-Wmaybe-uninitialized] tce_uss_offdiagonal_1.F:38:35: 38 | integer sizenew,ihashold,ioff,sizenew1,ioff1,ioff2 | ^ note: 'ioff' was declared here Compiling tce_uss_offdiagonal_2.F... Compiling tce_uss_offdiagonal_3.F... tce_uss_offdiagonal_2.F:417:11: 417 | if(ioff1.ne.ioff) then | ^ Warning: 'ioff' may be used uninitialized [-Wmaybe-uninitialized] tce_uss_offdiagonal_2.F:42:35: 42 | integer sizenew,ihashold,ioff,ioff1,ioff2,sizenew1 | ^ note: 'ioff' was declared here Compiling tce_uss_offdiagonal_4.F... tce_uss_offdiagonal_4.F:80:72: 80 | &b,t_h2b,t_h3b,t_h4b,t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_r4a' is used uninitialized [-Wuninitialized] tce_uss_offdiagonal_4.F:33:25: 33 | integer l_r4a,k_r4a | ^ note: 'k_r4a' declared here tce_uss_offdiagonal_3.F:462:11: 462 | if(ioff1.ne.ioff) then | ^ Warning: 'ioff' may be used uninitialized [-Wmaybe-uninitialized] tce_uss_offdiagonal_3.F:57:35: 57 | integer sizenew,ihashold,ioff,ioff1,ioff2,sizenew1 | ^ note: 'ioff' was declared here Compiling ccsd_r3.F... tce_uss_offdiagonal_4.F:465:11: 465 | if(ioff1.ne.ioff) then | ^ Warning: 'ioff' may be used uninitialized [-Wmaybe-uninitialized] tce_uss_offdiagonal_4.F:49:35: 49 | integer sizenew,ihashold,ioff,ioff1,ioff2,sizenew1 | ^ note: 'ioff' was declared here Compiling ccsd_r4.F... Compiling tce_uss_aux.F... Compiling tce_uss_T1_R1.F... Compiling tce_uss_T2_R2.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/uss' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/uss' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a tce_uss_offdiagonal_1.o tce_uss_offdiagonal_2.o tce_uss_offdiagonal_3.o tce_uss_offdiagonal_4.o ccsd_r3.o ccsd_r4.o tce_uss_aux.o tce_uss_T1_R1.o tce_uss_T2_R2.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/uss' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/uss' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a tce_mrcc_input.o tce_mrcc_energy.o tce_mrcc_readref.o tce_mrcc_calcexcit.o tce_mrcc_sortint.o tce_mrcc_tile.o tce_mrcc_macpy.o tce_mrcc_fillindexarray.o tce_mrcc_uhf.o create_mr_evl_sorted.o pgcreatefile.o tce_mrcc_mo2e.o tce_mrcc_ao2e.o tce_subnxtask.o tce_mrcc_sublock.o eaf_mrcc.o tce_t3ac_offset.o tce_t4ac_offset.o tce_mrcc_refs_sym.o tce_mrcc_force_orben.o tce_mrcc_diis_init.o tce_mrcc_heff.o tce_mrcc_diis.o tce_mrcc_jacobi_t1.o tce_mrcc_jacobi_t2.o tce_mrcc_gacp.o tce_mrcc_daxfile.o tce_mrcc_diis_tidy.o tce_jacobi_sub_t1.o tce_jacobi_sub_t2.o tce_mrcc_c1.o tce_mrcc_c1_offset.o tce_mrcc_c2.o tce_mrcc_c2_offset.o tce_mrcc_mul_1.o tce_mrcc_mul_2.o tce_mrcc_diis_save.o tce_mrcc_diis_new.o tce_mrcc_create_cas1.o atpart_nalength_mrcc.o new_ga4ind_N5uhf_mrcc_lm2.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a tce_input.o tce_init.o tce_energy.o tce_energy_fragment.o tce_tile.o tce_ao1e.o tce_mo1e.o tce_ao2e.o tce_filename.o createfile.o deletefile.o reconcilefile.o dratoga.o gatodra.o gatoeaf.o get_block.o put_block.o add_block.o tce_tidy.o sf_test.o hbar.o tce_mo2e.o tce_mo1e_offset.o tce_mo2e_offset.o tce_e_offset.o tce_guess_t1.o tce_guess_t2.o tce_zero.o tce_print_x1.o tce_print_x2.o tce_residual_t1.o tce_residual_t2.o tce_residual_t3.o tce_residual_t4.o ma_pack.o sf_print.o ma_print_compact.o ma_scale.o copyfile.o ddotfile.o daxfile.o daxpyfile.o dscalfile.o tce_aod1.o tce_nud1.o tce_mod1.o tce_mod1_offset.o sym_abelian_axis.o tce_mod1_new.o tce_mod1_offset_new.o tce_eom_init.o tce_eom_tidy.o tce_eom_xdiagon.o tce_eom_ydiagon.o tce_t1_offset.o tce_t2_offset.o tce_t3_offset.o tce_t4_offset.o tce_x1_offset.o tce_x2_offset.o tce_x3_offset.o tce_x4_offset.o tce_y1_offset.o tce_y2_offset.o tce_y3_offset.o tce_y4_offset.o tce_mbpt2.o tce_restricted.o tce_hash.o get_hash_block.o put_hash_block.o add_hash_block.o tce_residual_t3a.o tce_t3a_offset.o tce_x3a_offset.o tce_cholesky.o tce_ao2e_cholesky.o tce_ao2e_cholesky_2d.o tce_ao2e_cholesky_4d.o e2_offset_2_offset.o get_block_ind.o get_block_ind_sf.o tce_hash_ind.o tce_mo2e_offset_intorb.o tce_mo2e_offset_size.o tce_mo2e_trans.o atpart_nalength.o tce_mo2e_zones_4a_disk_ga.o tce_mo2e_zones_4a_disk_ga_chop.o tce_mo2e_zones_4a_disk_2s_new.o tce_restart.o tce_restart_triples.o tce_restart_quadruples.o tce_dens_hh_offset.o tce_dens_hp_offset.o tce_dens_pp_offset.o tce_dens_ph_offset.o get_mo_rdm_hh.o get_mo_rdm_hp.o get_mo_rdm_ph.o get_mo_rdm_pp.o ao_rdm_write.o tce_prop_start.o tce_property.o tce_diagnose_t1.o tce_fourindex_driver.o tce_fock_create.o tce_multipole_create.o tce_reference_check.o tce_fourindex_cleanup.o tce_fock_destroy.o tce_multipole_destroy.o tce_create_t1.o tce_create_t2.o tce_create_t3.o tce_create_t4.o tce_create_x1.o tce_create_x2.o tce_create_x3.o tce_create_x4.o tce_create_y1.o tce_create_y2.o tce_create_y3.o tce_create_y4.o tce_clone_x1.o tce_clone_x2.o tce_clone_x3.o tce_clone_x4.o tce_clone_y1.o tce_clone_y2.o tce_clone_y3.o tce_clone_y4.o tce_t1_offset_new.o tce_t2_offset_new.o tce_t3_offset_new.o tce_t4_offset_new.o tce_x1_offset_new.o tce_x2_offset_new.o tce_x3_offset_new.o tce_x4_offset_new.o tce_y1_offset_new.o tce_y2_offset_new.o tce_y3_offset_new.o tce_y4_offset_new.o tce_ccsd_driver.o tce_ccsdt_driver.o tce_ccsdtq_driver.o tce_ccsd_perturbative.o tce_ccsd_lambda_perturbative.o tce_ccsd_lambda_driver.o tce_ccsdt_lambda_driver.o tce_ccsdtq_lambda_driver.o tce_ccsd_response_driver.o tce_ccsdt_response_driver.o tce_ccsdtq_response_driver.o tce_ccsd_symm_polar.o tce_ccsdt_symm_polar.o tce_ccsdtq_symm_polar.o tce_ccsd_lambda_response_driver.o tce_ccsd_asym_polar.o tce_ccsd_hyperpolar.o tce_ao2e_new.o tce_mo2e_new.o tce_tile_new.o tce_init_new.o tce_mo2e_zones_4a_disk_4s_new_patch.o tce_mo2e_zones_4a_disk_4s_new_patch_m2.o tce_mo2e_zones_4a_disk_4s_new_patch_m3.o tce_ao2e_disk.o tce_mo2e_disk.o tce_mo2e_disk_2eorb.o tce_mo2e_incore_2eorb.o tce_mo2e_incore_2eorb_split.o tce_mo2e_hybrid_2eorb_split.o tce_mo2e_offset_intorb_hybrid.o tce_mo2e_2emet3.o tce_mo2e_2emet3_n5.o tce_mo2e_2emet4.o tce_mo2e_2emet4_n5.o get_hash_block_ma.o ccsd_energy_loc.o cc2_energy.o ccsd_lambda.o ccsd_lr_alpha.o ccsd_qr_beta.o tce_dgeev.o tce_schmidt.o tensor_read_write.o tce_diis_act.o tce_mo2e_zones_4a_disk_ga_act.o tce_mo2e_zones_4a_disk_ga_chop_act.o tce_t2a_offset.o tce_x2a_offset.o new_ga4ind_N5.o new4ind_N5_osu.o tce_mo2e_zones_4a_disk_ga_N5.o tce_mo2e_zones_4a_disk_ga_chop_N5.o tce_eom_xguess.o tce_eom_yguess.o ma_transpose.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libtce.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce' Making libraries in bq make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/bq' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/bq' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/bq' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/bq' Making libraries in mm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mm' Compiling mm_input.F... Compiling mm_data.F... Compiling mm_coords.F... Compiling mm_vdw.F... mm_data.F:574:51: 574 | if(.not. rtdb_get(rtdb,'qmmm:qm_en',mt_dbl,1,eqmtot)) | 1 ...... 704 | if(.not.rtdb_get(rtdb,'neb:ibead',mt_int,1,ibead)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). mm_data.F:418:29: 289 | call ga_brdcst(msg_smd,e, | 2 ...... 418 | call ga_brdcst(msg_smd,g, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling mm_bond.F... Compiling mm_bond_coords.F... mm_bond.F:1508:72: 1508 | xij = br(1,i1)-br(1,i2) | ^ Warning: 'i1' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1454:16: 1454 | integer i1, i2, i3, i4 | ^ note: 'i1' was declared here mm_bond.F:1508:72: 1508 | xij = br(1,i1)-br(1,i2) | ^ Warning: 'i2' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1454:20: 1454 | integer i1, i2, i3, i4 | ^ note: 'i2' was declared here mm_bond.F:1511:72: 1511 | xkj = br(1,i3)-br(1,i2) | ^ Warning: 'i3' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1454:24: 1454 | integer i1, i2, i3, i4 | ^ note: 'i3' was declared here mm_bond.F:1514:72: 1514 | xkl = br(1,i3)-br(1,i4) | ^ Warning: 'i4' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1454:28: 1454 | integer i1, i2, i3, i4 | ^ note: 'i4' was declared here mm_bond.F:1170:72: 1170 | xij = br(1,i1) - br(1,i2) | ^ Warning: 'i1' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1140:16: 1140 | integer i1, i2, i3 | ^ note: 'i1' was declared here mm_bond.F:1170:72: 1170 | xij = br(1,i1) - br(1,i2) | ^ Warning: 'i2' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1140:20: 1140 | integer i1, i2, i3 | ^ note: 'i2' was declared here mm_bond.F:1173:72: 1173 | xkj = br(1,i3) - br(1,i2) | ^ Warning: 'i3' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1140:24: 1140 | integer i1, i2, i3 | ^ note: 'i3' was declared here Compiling mm_link.F... mm_bond.F:1651:72: 1651 | xij = br(1,i1)-br(1,i2) | ^ Warning: 'i1' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1597:16: 1597 | integer i1, i2, i3, i4 | ^ note: 'i1' was declared here mm_bond.F:1651:72: 1651 | xij = br(1,i1)-br(1,i2) | ^ Warning: 'i2' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1597:20: 1597 | integer i1, i2, i3, i4 | ^ note: 'i2' was declared here mm_bond.F:1654:72: 1654 | xkj = br(1,i3)-br(1,i2) | ^ Warning: 'i3' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1597:24: 1597 | integer i1, i2, i3, i4 | ^ note: 'i3' was declared here mm_bond.F:1657:72: 1657 | xkl = br(1,i3)-br(1,i4) | ^ Warning: 'i4' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1597:28: 1597 | integer i1, i2, i3, i4 | ^ note: 'i4' was declared here mm_bond.F:1258:72: 1258 | xij = br(1,i1) - br(1,i2) | ^ Warning: 'i1' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1226:16: 1226 | integer i1, i2, i3 | ^ note: 'i1' was declared here mm_bond.F:1258:72: 1258 | xij = br(1,i1) - br(1,i2) | ^ Warning: 'i2' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1226:20: 1226 | integer i1, i2, i3 | ^ note: 'i2' was declared here mm_bond.F:1261:72: 1261 | xkj = br(1,i3) - br(1,i2) | ^ Warning: 'i3' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1226:24: 1226 | integer i1, i2, i3 | ^ note: 'i3' was declared here Compiling mm_geom.F... mm_link.F:550:49: 24 | if(.not.rtdb_get(rtdb,'mm:qmlink',mt_log,1,qmlink)) | 2 ...... 550 | if(.not.rtdb_get(rtdb,'mm:cutoff',mt_dbl,1,cut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mm_vdw_coords.F... mm_link.F:365:72: 365 | r1(1) = dbl_mb(i_rvdw14+(i_i-1)*3)*scale | ^ Warning: 'i_i' may be used uninitialized [-Wmaybe-uninitialized] mm_link.F:297:17: 297 | integer i_i, i_j | ^ note: 'i_i' was declared here mm_link.F:368:72: 368 | r2(1) = dbl_mb(i_rvdw14+(i_j-1)*3)*scale | ^ Warning: 'i_j' may be used uninitialized [-Wmaybe-uninitialized] mm_link.F:297:22: 297 | integer i_i, i_j | ^ note: 'i_j' was declared here mm_link.F:487:72: 487 | r1(1) = dbl_mb(i_rvdw14+(i_i-1)*3)*scale | ^ Warning: 'i_i' may be used uninitialized [-Wmaybe-uninitialized] mm_link.F:420:17: 420 | integer i_i, i_j | ^ note: 'i_i' was declared here mm_link.F:490:72: 490 | r2(1) = dbl_mb(i_rvdw14+(i_j-1)*3)*scale | ^ Warning: 'i_j' may be used uninitialized [-Wmaybe-uninitialized] mm_link.F:420:22: 420 | integer i_i, i_j | ^ note: 'i_j' was declared here mm_link.F:828:72: 828 | rh = rq - (rq-rl)*a | ^ Warning: 'rl' may be used uninitialized [-Wmaybe-uninitialized] mm_link.F:812:28: 812 | double precision rq,rl,rh | ^ note: 'rl' was declared here mm_link.F:828:72: 828 | rh = rq - (rq-rl)*a | ^ Warning: 'rq' may be used uninitialized [-Wmaybe-uninitialized] mm_link.F:812:25: 812 | double precision rq,rl,rh | ^ note: 'rq' was declared here Compiling mm_bq.F... Compiling mm_neb.F... Compiling mm_cons.F... mm_neb.F:46:52: 46 | if(.not.rtdb_get(rtdb,'neb:nbeads',mt_int,1,nbeads)) | 1 ...... 194 | if(.not.rtdb_get(rtdb,'mm:scnb_adjust',mt_log,1,scnb_adj)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). mm_neb.F:143:72: 143 | & call errquit("error getting crdparm "//pname,0 -1) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) mm_cons.F:68:29: 35 | if (.not. rtdb_get(irtdb,'qmmm:n_spring',mt_int,1,ns)) | 2 ...... 68 | + ns,dbl_mb(i_as))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mm' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libmm.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libmm.a mm_input.o mm_data.o mm_coords.o mm_vdw.o mm_bond.o mm_bond_coords.o mm_link.o mm_geom.o mm_vdw_coords.o mm_bq.o mm_neb.o mm_cons.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libmm.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libmm.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libmm.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mm' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mm' Making libraries in cons make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cons' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cons' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cons' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cons' Making libraries in perfm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/perfm' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/perfm' make[4]: '/build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libperfm.a' is up to date. make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/perfm' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/perfm' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/perfm' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/perfm' Making libraries in dntmc make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dntmc' Compiling dntmc_input.F... dntmc_input.F:48:13: 48 | & nspecies)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:58:13: 58 | & nob)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:91:13: 91 | & temp)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dntmc_input.F:101:13: 101 | & mcsteps)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:133:11: 133 | & 0)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:144:13: 144 | & mprnt)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:155:11: 155 | & procrestart)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dntmc_setgeom.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dntmc' Compiling gibbs.F... gibbs.F:2893:41: 2892 | call ga_brdcst(msg_dntmc0+MSGDBL, PERCENT, mdtob(1), 0) | 2 2893 | call ga_brdcst(msg_dntmc1+MSGDBL, NDA, mdtob(NOB*nspc), 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) gibbs.F:2894:41: 2892 | call ga_brdcst(msg_dntmc0+MSGDBL, PERCENT, mdtob(1), 0) | 2 2893 | call ga_brdcst(msg_dntmc1+MSGDBL, NDA, mdtob(NOB*nspc), 0) 2894 | call ga_brdcst(msg_dntmc2+MSGDBL, NDSIG, mdtob(NOB*nspc), 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) gibbs.F:4068:61: 2728 | & , dynamic)) | 2 ...... 4068 | if (.not. rtdb_get(rtdb, 'task:energy', mt_dbl, 1, unew)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gibbs.F:1195:45: 1195 | call ga_put(g_proc,myid+1,myid+1,1,1,util_sgroup_mygroup(),ld) | 1 ...... 2877 | call ga_put(g_pr,ilo,ihi,jlo,jhi,NUMBERAVR,ld) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). gibbs.F:1199:43: 1199 | call ga_get(g_proc,1,inodesbig,1,1,bigproc,ld) | 1 ...... 2882 | call ga_get(g_pr,ilo,ihi,jlo,jhi,TESTME,ld) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). gibbs.F:1223:72: 1223 | &ga_destroy(g_proc) failed', GA_ERR) | 1 Warning: Missing actual argument for argument '_formal_3' at (1) gibbs.F:929:9: 929 | & dntSEED(1))) | 1 ...... 1546 | if(.not. rtdb_put(rtdb,'rtdb:stored:state',mt_log,3,ostate)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gibbs.F:4594:72: 4594 | NUMBER(I,J) = NUMBER(I,J) + 1 | ^ Warning: 'spctagpoint' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:4549:36: 4549 | integer spctagsum, spctagpoint | ^ note: 'spctagpoint' was declared here gibbs.F:4115:72: 4115 | DIST = DISTcalc(1) | ^ Warning: 'MEM[(real(kind=8)[0:D.5799] *)_572][0]' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:3322:72: 3322 | DIST = DISTcalc(1) | ^ Warning: 'MEM[(real(kind=8)[0:D.6482] *)_548][0]' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:1674:72: 1674 | DIST = DISTcalc(1) | ^ Warning: 'MEM[(real(kind=8)[0:D.7228] *)_493][0]' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:1914:27: 1914 | IF((CONT2 .eq. 0).or.(new_markov_chain)) then | ^ Warning: 'new_markov_chain' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:1462:30: 1462 | logical new_markov_chain | ^ note: 'new_markov_chain' was declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dntmc' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dntmc' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdntmc.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdntmc.a dntmc_input.o dntmc_setgeom.o gibbs.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdntmc.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdntmc.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdntmc.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dntmc' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dntmc' Making libraries in dangchang make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dangchang' Compiling dc_initialize.F... Compiling dc_setgeom.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dangchang' Compiling dc_energy.F... dc_energy.F:445:58: 441 | if (.not. rtdb_put(rtdb,'dangchang:energy',mt_dbl,1,UU)) | 2 ...... 445 | if (.not. rtdb_put(rtdb,'dangchang:dipole',mt_dbl,3,DCDIP)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dangchang' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dangchang' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdangchang.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdangchang.a dc_initialize.o dc_setgeom.o dc_energy.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdangchang.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdangchang.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdangchang.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dangchang' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dangchang' Making libraries in ccca make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ccca' Compiling task_ccca.F... task_ccca.F:69:27: 45 | + call errquit('task_ccca: rtdb_cput failed',0,RTDB_ERR) | 2 ...... 69 | + 'available.',0,RTDB_ERR) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(10)/INTEGER(8)). task_ccca.F:69:72: 69 | + 'available.',0,RTDB_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) task_ccca.F:77:72: 77 | + 'recognized.',0,RTDB_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) task_ccca.F:140:56: 99 | call ccca_err(rtdb_put(rtdb,'ccca:restart',MT_LOG,1,.true.), | 2 ...... 140 | call ccca_err(rtdb_put(rtdb,'ccca:stage',MT_INT,1,0),errcode) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ccca_utils.F... ccca_utils.F:1476:51: 1469 | if (.not.rtdb_put(rtdb,'ccca:nopen',mt_int,1,nopen)) | 2 ...... 1476 | if (.not.rtdb_put(rtdb,'ccca:therm',mt_log,1,therm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). ccca_utils.F:1013:60: 1011 | if (rtdb_get(rtdb,'ccca:restart',MT_LOG,1,restart)) then | 2 1012 | if (restart) 1013 | $ call ccca_err(rtdb_get(rtdb,'ccca:stage',MT_INT,1,stage),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ccca' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libccca.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libccca.a task_ccca.o ccca_utils.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libccca.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libccca.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libccca.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ccca' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ccca' Making libraries in dimqm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dimqm' Compiling dimqm_input.F... dimqm_input.F:159:55: 153 | if (.not. rtdb_put(rtdb, 'dimqm:ldimqm', mt_log, 1, ldimqm)) | 2 ...... 159 | if (.not. rtdb_put(rtdb, 'dimqm:alg', mt_int, 1, alg)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dimpar_input.F... dimpar_input.F:265:38: 259 | $ mt_dbl, 3*iexp, expdata(1:3, 1:iexp))) | 2 ...... 265 | $ mt_int, 1, iexp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dimqm_prep.F... dimqm_prep.F:238:33: 235 | $ mt_int, 1, iexp)) | 2 ...... 238 | $ 3*iexp, rawexpdie(1:3,1:iexp))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dimqm_prep.F:68:63: 68 | if(.not. rtdb_get(rtdb,'dimpar:typeindex', mt_int, nDIM, tx)) | 1 ...... 235 | $ mt_int, 1, iexp)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_prep.F:174:52: 162 | call ga_put(g_DIM_diag, i+1, i+1, 1, 1, polc, 1) | 2 ...... 174 | call ga_put(g_DIM_diag, i+1, i+1, 1, 1, polr, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling dimqm_main.F... dimqm_main.F:89:55: 81 | if(.not. rtdb_get(rtdb,'dimpar:coords',mt_dbl,i3,dimxyz)) | 2 ...... 89 | if(.not. rtdb_get(rtdb,'dimqm:lfirst',mt_log, 1, lfirst)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). dimqm_main.F:191:58: 165 | if(.not.rtdb_put(rtdb,'dimqm:muind',mt_dbl,i3, muind)) | 2 ...... 191 | if (.not. rtdb_put(rtdb, 'dimqm:edimqm', MT_DBL, 1, edimqm)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_main.F:220:58: 165 | if(.not.rtdb_put(rtdb,'dimqm:muind',mt_dbl,i3, muind)) | 2 ...... 220 | if (.not. rtdb_put(rtdb, 'dimqm:lfirst', mt_log, 1, lfirst)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). dimqm_main.F:244:72: 244 | $ call errquit("dimqm_main: can't free l_muold", MA_ERR) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dimqm_main.F:246:72: 246 | $ call errquit("dimqm_main: can't free l_eqmn", MA_ERR) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling dimqm_polarizability.F... Compiling dimqm_f2d.F... Compiling dimqm_iterative.F... Compiling qmr_real.F... Compiling qmr_complex.F... qmr_complex.F:215:41: 144 | call ga_add(ONE_C, g_work(3), -dtmp, g_work(4), g_work(4)) | 2 ...... 215 | call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling matvecReal.F... matvecReal.F:59:62: 58 | stat = rtdb_get(rtdb, 'dimpar:sPol', mt_dbl, nDIMTypes, sPol) | 2 59 | stat = rtdb_get(rtdb, 'dimpar:typeindex', mt_int, nDIM, tx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling matvecComplex.F... matvecComplex.F:63:62: 62 | stat = rtdb_get(rtdb, 'dimpar:sPol', mt_dbl, nDIMTypes, sPol) | 2 63 | stat = rtdb_get(rtdb, 'dimpar:typeindex', mt_int, nDIM, tx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dimqm_EqmE.F... Compiling t2.F... Compiling pphilo.F... Compiling dimqm_fldpot.F... Compiling dimqm_EqmN.F... Compiling dimqm_printAtomicDipoles.F... dimqm_printAtomicDipoles.F:63:23: 60 | if(.not.rtdb_get(rtdb,'dimpar:typeindex',mt_int,nDIM,tx)) | 2 ...... 63 | $ elements)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(1)/INTEGER(8)). Compiling dimqm_energy.F... Compiling dimqm_printDipole.F... Compiling dimqm_Dens2Dipoles.F... Compiling dimqm_indDipoles.F... Compiling dimqm_printAtoms.F... dimqm_printAtoms.F:39:59: 37 | $ elements)) | 2 38 | $ call errquit('dimqm_print get names failed',1,RTDB_ERR) 39 | if(.not.rtdb_get(rtdb,'dimpar:typeindex',mt_int,nDIM,tx)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/CHARACTER(*)). Compiling dimqm_addop.F... dimqm_addop.F:294:63: 156 | if (.not.rtdb_get(dimqm_rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 294 | if(.not.rtdb_get(dimqm_rtdb,'dimpar:coords', mt_dbl, i3, dimxyz)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) dimqm_addop.F:333:48: 156 | if (.not.rtdb_get(dimqm_rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 333 | $ mt_dbl, i3, muold(:,:,1))) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) dimqm_addop.F:351:45: 156 | if (.not.rtdb_get(dimqm_rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 351 | $ mt_dbl, i3, muold(:,:,2))) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) dimqm_addop.F:581:33: 576 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 581 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop.F:582:33: 577 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 582 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop.F:598:33: 576 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 598 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop.F:599:33: 577 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 599 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dimqm_lclfld.F... dimqm_lclfld.F:199:21: 81 | call ga_zero(g_dipel_i) | 2 ...... 199 | call ga_zero(g_dim_r) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling seeded_qmr_real.F... seeded_qmr_real.F:121:38: 109 | if(.not.rtdb_get(rtdb,'seed:k'//dir, mt_int, 1, k)) | 2 ...... 121 | $ mt_dbl, 1, sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmr_seed_real.F... qmr_seed_real.F:188:37: 97 | if(.not.rtdb_put(rtdb,'seed:k'//dir, mt_int, 1, niter)) | 2 ...... 188 | $ mt_dbl, 1,sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling seeded_qmr_real_augment.F... seeded_qmr_real_augment.F:130:62: 120 | if(.not.rtdb_get(rtdb,'seed:k', mt_int, 1, k)) | 2 ...... 130 | if(.not.rtdb_get(rtdb,'seed:sin'//CHAR(j), mt_dbl, 1, sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). seeded_qmr_real_augment.F:342:49: 243 | if(.not.rtdb_put(rtdb,'seed:sin'//CHAR(k), mt_dbl, 1, sinn)) | 2 ...... 342 | if(.not.rtdb_put(rtdb,'seed:k', mt_int, 1, k)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dimqm_tidy.F... Compiling qmr_seed_complex.F... qmr_seed_complex.F:202:36: 199 | $ mt_dcpl, 1, sinn)) | 2 ...... 202 | $ mt_dbl, 1, cosn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). qmr_seed_complex.F:263:41: 154 | call ga_add(ONE_C, g_work(3), -dtmp, g_work(4), g_work(4)) | 2 ...... 263 | call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling seeded_qmr_complex.F... seeded_qmr_complex.F:128:37: 116 | if(.not.rtdb_get(rtdb,'seed:k'//dir//'c', mt_int, 1, k)) | 2 ...... 128 | $ mt_dcpl, 1, sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/INTEGER(8)). seeded_qmr_complex.F:155:34: 154 | call ga_brdcst(msg_dimqm, sinn, mdtob(2), 0) | 2 155 | call ga_brdcst(msg_dimqm, cosn, mdtob(1), 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). seeded_qmr_complex.F:292:41: 163 | call ga_add(ONE_C, g_work(1), dtmp, g_work(5), g_work(1)) | 2 ...... 292 | call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling dimqm_broadcast.F... dimqm_broadcast.F:33:32: 13 | call ga_brdcst(msg_dimqm, ldimqm, 1, 0) | 2 ...... 33 | call ga_brdcst(msg_dimqm, alg, mitob1, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling CubicSpline.F... Compiling dim_fock_xc.F... Compiling dim_getv.F... dim_getv.F:107:72: 107 | & time2_xc-time1_xc | ^ Warning: 'time1_xc' may be used uninitialized [-Wmaybe-uninitialized] dim_getv.F:78:31: 78 | double precision time1_xc,time2_xc | ^ note: 'time1_xc' was declared here dim_getv.F:107:72: 107 | & time2_xc-time1_xc | ^ Warning: 'time2_xc' may be used uninitialized [-Wmaybe-uninitialized] dim_getv.F:78:40: 78 | double precision time1_xc,time2_xc | ^ note: 'time2_xc' was declared here Compiling dim_tabcd.F... Compiling dim_eval_fnl.F... Compiling dim_grid_quadv0.F... dim_grid_quadv0.F:279:24: 111 | if (.not.rtdb_get(rtdb,'dft:largenode', mt_log, 1, largenode)) | 2 ...... 279 | $ dbl_mb(k_dimxyz))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dim_grid_quadv0.F:7:37: 7 | call dim_grid_quadv0_gen(rtdb, g_vdim, 1, 1, .false., 0, 1) | 1 Warning: Rank mismatch in argument 'g_vdim' at (1) (scalar and rank-1) Compiling dim_grid_quadv0a.F... Compiling dim_grid_quadv0b.F... Compiling dimqm_seeding.F... Compiling dimqm_rohf.F... dimqm_rohf.F:136:59: 44 | if(.not. rtdb_put(rtdb, 'dimqm:lfirst', mt_log, 1, lfirst)) | 2 ...... 136 | if (.not. rtdb_put(rtdb, 'dimqm:g_dim', mt_int, 1, g_dim)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dimqm_util.F... dimqm_util.F:73:57: 67 | if (.not. rtdb_get(rtdb, 'dimqm:ldimqm', mt_log, 1, ldimqm)) | 2 ...... 73 | if (.not. rtdb_get(rtdb, 'dimpar:ndim', mt_int, 1, ndim)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dimqm_addop_uhf.F... dimqm_addop_uhf.F:454:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 454 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:455:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 455 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop_uhf.F:471:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 471 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:472:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 472 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop_uhf.F:979:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 979 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:980:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 980 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop_uhf.F:998:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 998 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:999:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 999 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dimqm' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdimqm.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdimqm.a dimqm_input.o dimpar_input.o dimqm_prep.o dimqm_main.o dimqm_polarizability.o dimqm_f2d.o dimqm_iterative.o qmr_real.o qmr_complex.o matvecReal.o matvecComplex.o dimqm_EqmE.o t2.o pphilo.o dimqm_fldpot.o dimqm_EqmN.o dimqm_printAtomicDipoles.o dimqm_energy.o dimqm_printDipole.o dimqm_Dens2Dipoles.o dimqm_indDipoles.o dimqm_printAtoms.o dimqm_addop.o dimqm_lclfld.o seeded_qmr_real.o qmr_seed_real.o seeded_qmr_real_augment.o dimqm_tidy.o qmr_seed_complex.o seeded_qmr_complex.o dimqm_broadcast.o CubicSpline.o dim_fock_xc.o dim_getv.o dim_tabcd.o dim_eval_fnl.o dim_grid_quadv0.o dim_grid_quadv0a.o dim_grid_quadv0b.o dimqm_seeding.o dimqm_rohf.o dimqm_util.o dimqm_addop_uhf.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdimqm.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdimqm.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libdimqm.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dimqm' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dimqm' Making libraries in fcidump make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fcidump' Compiling fcidump_inp.F... Compiling task_fcidump.F... task_fcidump.F:78:11: 50 | if (.not. rtdb_get(rtdb, 'fcidump:mos', mt_log, 1, molecorb)) | 2 ...... 78 | $ vir_frozen)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_fcidump.F:88:11: 73 | $ occ_frozen)) | 2 ...... 88 | $ .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling fcidump_header.F... fcidump_header.F:104:56: 86 | if (.not. rtdb_get(rtdb, 'charge', MT_DBL, 1, charge)) | 2 ...... 104 | if (.not. rtdb_get(rtdb, 'dft:mult', MT_INT, 1,mult)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fcidump' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libfcidump.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libfcidump.a fcidump_inp.o task_fcidump.o fcidump_header.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libfcidump.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libfcidump.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libfcidump.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fcidump' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fcidump' Making libraries in gwmol make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/gwmol' Compiling gwmol.F... Compiling ga_chol_inv_seq.F... Compiling gw_input.F... gw_input.F:64:54: 62 | if (.not.rtdb_put(rtdb, 'gw:evgw0', mt_log, 1, .true.)) | 2 63 | $ call errquit('gw_input: rtdb_put failed', 100, RTDB_ERR) 64 | if (.not.rtdb_put(rtdb, 'gw:eviter', mt_int, 1, eviter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). gw_input.F:146:26: 57 | 100 if (.not. inp_i(eviter)) then | 2 ...... 146 | if (.not. inp_i(noqp)) goto 8200 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_input.F:150:26: 57 | 100 if (.not. inp_i(eviter)) then | 2 ...... 150 | if (.not. inp_i(nvqp)) goto 8200 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_input.F:162:26: 57 | 100 if (.not. inp_i(eviter)) then | 2 ...... 162 | if (.not. inp_i(noqp)) goto 8200 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_input.F:166:26: 57 | 100 if (.not. inp_i(eviter)) then | 2 ...... 166 | if (.not. inp_i(nvqp)) goto 8200 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling gw_defaults.F... gw_defaults.F:29:46: 20 | ok = rtdb_put(rtdb,'gw:evgw0',mt_log,1,.false.).and. | 2 ...... 29 | & rtdb_put(rtdb,'gw:eviter',mt_int,1,4).and. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling gw_init.F... gw_init.F:83:56: 80 | if (.not.rtdb_get(pars%rtdb,'gw:init',mt_log,1,init)) | 2 ...... 83 | if (.not.rtdb_get(pars%rtdb,'dft:energy',mt_dbl,1,pars%escf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gw_init.F:325:34: 165 | call int_init(pars%rtdb, 1, cd_bas_han) | 2 ...... 325 | call int_init(pars%rtdb, 2, (/ao_bas_han, cd_bas_han/)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling gw_finalize.F... Compiling gw_memory.F... Compiling gw_vxc.F... Compiling gw_donewton.F... Compiling gw_cdgw.F... Compiling gw_cdgw_buildin.F... Compiling gw_cdgw_newton.F... gw_cdgw_newton.F:87:28: 86 | call ga_brdcst(1038,nclusters,ma_sizeof(mt_int,1,mt_byte),0) | 2 87 | call ga_brdcst(1038,clusters, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_cdgw_newton.F:173:32: 86 | call ga_brdcst(1038,nclusters,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 173 | call ga_brdcst(1038,lvars,2*logs,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling gw_cdgw_graph.F... gw_cdgw_graph.F:200:32: 182 | call ga_brdcst(1038,lvars,2*logs,0) | 2 ...... 200 | call ga_brdcst(1038,eout,ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gw_cdgw_graph.F:326:72: 326 | $ resmat(1:npoints,iqp) ),dim=1)) | ^ Warning: 'npoints' may be used uninitialized [-Wmaybe-uninitialized] gw_cdgw_graph.F:33:61: 33 | integer llqp, ulqp, ipoints, icluster, qplimit, npoints | ^ note: 'npoints' was declared here gw_cdgw_graph.F:328:72: 328 | $ resmat(1:npoints,iqp))),2*nspace) | ^ Warning: 'nspace' may be used uninitialized [-Wmaybe-uninitialized] gw_cdgw_graph.F:35:60: 35 | double precision timer, timer2, rms3(3), const, nspace | ^ note: 'nspace' was declared here Compiling gw_analytic.F... Compiling gw_analytic_newton.F... gw_analytic_newton.F:104:28: 103 | call ga_brdcst(1038,nclusters,ma_sizeof(mt_int,1,mt_byte),0) | 2 104 | call ga_brdcst(1038,clusters, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_analytic_newton.F:204:32: 103 | call ga_brdcst(1038,nclusters,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 204 | call ga_brdcst(1038,lvars,2*logs,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling gw_analytic_graph.F... gw_analytic_graph.F:141:32: 128 | call ga_brdcst(1038,converged,logs,0) | 2 ...... 141 | call ga_brdcst(1038,eout,ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/gwmol' Compiling gw_ri_init.F... Compiling gw_invdiag.F... gw_ri_init.F:188:72: 188 | offk = k_buf + offset*nij | ^ Warning: 'offset' may be used uninitialized [-Wmaybe-uninitialized] gw_ri_init.F:31:39: 31 | integer g_3ceris,shlo,shhi,offset,ld | ^ note: 'offset' was declared here Compiling gw_tools.F... Compiling gw_analytic_wmn.F... Compiling gw_analytic_sigmac.F... Compiling gw_analytic_addrpa.F... Compiling gw_analytic_ovscale.F... Compiling gw_analytic_rpa.F... Compiling gw_analytic_scalxpy.F... Compiling gw_analytic_sigmac_graph.F... Compiling gw_minres.F... gw_minres.F:96:46: 96 | call gw_aprod(OV1,factor,x,y,-4d0,0d0,npoles,n) | 1 Warning: Rank mismatch in argument 'npoles' at (1) (scalar and rank-1) gw_minres.F:98:46: 98 | call gw_aprod(OV1,factor,x,y,-2d0,0d0,npoles,n) | 1 Warning: Rank mismatch in argument 'npoles' at (1) (scalar and rank-1) gw_minres.F:170:47: 170 | call gw_aprod(OV1,factor,v,y,4d0,0d0,npoles,n) | 1 Warning: Rank mismatch in argument 'npoles' at (1) (scalar and rank-1) gw_minres.F:172:47: 172 | call gw_aprod(OV1,factor,v,y,2d0,0d0,npoles,n) | 1 Warning: Rank mismatch in argument 'npoles' at (1) (scalar and rank-1) gw_minres.F:344:28: 291 | call ga_brdcst(1038,istop,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 344 | call ga_brdcst(1038,x,ma_sizeof(mt_dbl,n,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling gw_cdgw_buildrn_graph.F... Compiling gw_cdgw_buildiw.F... Compiling gw_cdgw_buildin_graph.F... Compiling gw_cdgw_buildpi.F... Compiling gw_cdgw_buildrn_minres.F... gw_cdgw_buildpi.F:298:20: 298 | elseif (dorfp) then | ^ Warning: 'dorfp' may be used uninitialized [-Wmaybe-uninitialized] gw_cdgw_buildpi.F:40:22: 40 | logical ok,dorfp | ^ note: 'dorfp' was declared here gw_cdgw_buildrn_minres.F:207:28: 173 | call ga_brdcst(1038,skip,ma_sizeof(mt_log,1,mt_byte),0) | 2 ...... 207 | call ga_brdcst(1038,vector,ma_sizeof(mt_dbl,nri,mt_byte),root) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gw_cdgw_buildrn_minres.F:192:72: 192 | $ (0.5d0/(temp - arg))**2) ) | ^ Warning: 'dfactor.offset' may be used uninitialized [-Wmaybe-uninitialized] gw_cdgw_buildrn_minres.F:57:71: 57 | ISOGW,allocatable,dimension(:,:) :: factor, dfactor | ^ note: 'dfactor.offset' was declared here gw_cdgw_buildrn_minres.F:192:72: 192 | $ (0.5d0/(temp - arg))**2) ) | ^ Warning: 'dfactor.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] gw_cdgw_buildrn_minres.F:57:71: 57 | ISOGW,allocatable,dimension(:,:) :: factor, dfactor | ^ note: 'dfactor.dim[1].stride' was declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/gwmol' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/gwmol' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libgwmol.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libgwmol.a gwmol.o ga_chol_inv_seq.o gw_input.o gw_defaults.o gw_init.o gw_finalize.o gw_memory.o gw_vxc.o gw_donewton.o gw_cdgw.o gw_cdgw_buildin.o gw_cdgw_newton.o gw_cdgw_graph.o gw_analytic.o gw_analytic_newton.o gw_analytic_graph.o gw_ri_init.o gw_invdiag.o gw_tools.o gw_analytic_wmn.o gw_analytic_sigmac.o gw_analytic_addrpa.o gw_analytic_ovscale.o gw_analytic_rpa.o gw_analytic_scalxpy.o gw_analytic_sigmac_graph.o gw_minres.o gw_cdgw_buildrn_graph.o gw_cdgw_buildiw.o gw_cdgw_buildin_graph.o gw_cdgw_buildpi.o gw_cdgw_buildrn_minres.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libgwmol.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libgwmol.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libgwmol.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/gwmol' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/gwmol' Making libraries in 64to32blas make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:300: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:300: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:300: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:300: warning: ignoring old recipe for target '32_to_64' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:300: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:300: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:300: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:300: warning: ignoring old recipe for target '32_to_64' Compiling yscal.F... Compiling ycopy.F... Compiling ydot.F... Compiling ygemm.F... Compiling ygemv.F... Compiling iyamax.F... Compiling ygesv.F... Compiling ygesvd.F... Compiling yaxpy.F... Compiling yspsvx.F... Compiling yposv.F... Compiling ysyev.F... Compiling ysyevd.F... Compiling yger.F... Compiling yrot.F... Compiling ylaset.F... Compiling yswap.F... Compiling ygebak.F... Compiling ygebal.F... Compiling ynrm2.F... Compiling ylacpy.F... Compiling ylascl.F... Compiling ylange.F... Compiling ytrevc.F... Compiling yhseqr.F... Compiling yorghr.F... Compiling ygehrd.F... Compiling ysterf.F... Compiling ylarnv.F... Compiling ylagtf.F... Compiling ylagts.F... Compiling yasum.F... Compiling ypotri.F... Compiling ypotrf.F... Compiling ysygv.F... Compiling ygeev.F... Compiling ygeevx.F... Compiling ygels.F... Compiling ygelss.F... Compiling ygtsv.F... Compiling ypftrf.F... Compiling ypftri.F... Compiling ytfsm.F... Compiling ygetrf.F... Compiling ygetri.F... Compiling ygetrs.F... Compiling ifily.F... Compiling jscal.F... Compiling jaxpy.F... Compiling jgemm.F... Compiling jheev.F... Compiling jcopy.F... Compiling jdotc.F... Compiling ijamax.F... Compiling jgesvd.F... Compiling jgeev.F... Compiling jgetrs.F... Compiling jgetrf.F... Compiling jlacpy.F... Compiling ysfrk.F... Compiling ysysv.F... Compiling ysytrf.F... Compiling ysytrs.F... Compiling ysymm.F... Compiling ysymv.F... Compiling ysyr2k.F... Compiling ytrmm.F... Compiling ytrtri.F... Compiling jlacp2.F... Compiling ysyrk.F... Compiling jsyrk.F... Compiling jsysv.F... Compiling jsytrf.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/64to32blas' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:300: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:300: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:300: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:300: warning: ignoring old recipe for target '32_to_64' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/lib64to32.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/lib64to32.a yscal.o ycopy.o ydot.o ygemm.o ygemv.o iyamax.o ygesv.o ygesvd.o yaxpy.o yspsvx.o yposv.o ysyev.o ysyevd.o yger.o yrot.o ylaset.o yswap.o ygebak.o ygebal.o ynrm2.o ylacpy.o ylascl.o ylange.o ytrevc.o yhseqr.o yorghr.o ygehrd.o ysterf.o ylarnv.o ylagtf.o ylagts.o yasum.o ypotri.o ypotrf.o ysygv.o ygeev.o ygeevx.o ygels.o ygelss.o ygtsv.o ypftrf.o ypftri.o ytfsm.o ygetrf.o ygetri.o ygetrs.o ifily.o jscal.o jaxpy.o jgemm.o jheev.o jcopy.o jdotc.o ijamax.o jgesvd.o jgeev.o jgetrs.o jgetrf.o jlacpy.o ysfrk.o ysysv.o ysytrf.o ysytrs.o ysymm.o ysymv.o ysyr2k.o ytrmm.o ytrtri.o jlacp2.o ysyrk.o jsyrk.o jsysv.o jsytrf.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/lib64to32.a echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/lib64to32.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/lib64to32.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/64to32blas' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/64to32blas' make nwchem.o stubs.o make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** gfortran -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O -I. -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.2/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/build/reproducible-path/nwchem-7.2.2/build-mpich'" -DNWCHEM_BRANCH="'7.2.2'" -c -o nwchem.o nwchem.F gfortran -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O -I. -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.2/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/build/reproducible-path/nwchem-7.2.2/build-mpich'" -DNWCHEM_BRANCH="'7.2.2'" -c -o stubs.o stubs.F make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src' gfortran -L/build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64 -L/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu/mpich/lib -o /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem nwchem.o stubs.o -lnwctask -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lfcidump -lgwmol -lnwcutil -lga-mpich -lscalapack-mpich -llapack -lblas -larmci-mpich -larmci-mpich -lpeigs -lperfm -lcons -lbq -lnwcutil -lscalapack-mpich -l64to32 "-llapack" -lblas -llapack -L/usr/lib/aarch64-linux-gnu/mpich/lib -lmpichfort -lmpich -lhwloc -larmci-mpich -lpthread -lnwcutil -L/usr/lib/python3.11/config-3.11-aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lpython3.11 -ldl -lm /bin/rm -f nwchem.o stubs.o make[2]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src' make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/util' Compiling util_module_avail.F... Compiling util_version.F... Compiling util_nwchem_version.F... Compiling util_scalapack_info.F... make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/util' Making all in md5 make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/util/md5' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/util/md5' make[3]: '/build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a' is up to date. make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/util' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/util/md5' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/util/md5' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/util' Got lock on /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a util_module_avail.o util_version.o util_nwchem_version.o util_scalapack_info.o echo /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64/libnwcutil.a make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/util' make[2]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/util' make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** make nwchem.o stubs.o make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** gfortran -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O -I. -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.2/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/build/reproducible-path/nwchem-7.2.2/build-mpich'" -DNWCHEM_BRANCH="'7.2.2'" -c -o nwchem.o nwchem.F gfortran -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O -I. -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.2/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/build/reproducible-path/nwchem-7.2.2/build-mpich'" -DNWCHEM_BRANCH="'7.2.2'" -c -o stubs.o stubs.F make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src' gfortran -L/build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64 -L/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu/mpich/lib -o /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem nwchem.o stubs.o -lnwctask -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lfcidump -lgwmol -lnwcutil -lga-mpich -lscalapack-mpich -llapack -lblas -larmci-mpich -larmci-mpich -lpeigs -lperfm -lcons -lbq -lnwcutil -lscalapack-mpich -l64to32 "-llapack" -lblas -llapack -L/usr/lib/aarch64-linux-gnu/mpich/lib -lmpichfort -lmpich -lhwloc -larmci-mpich -lpthread -lnwcutil -L/usr/lib/python3.11/config-3.11-aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lpython3.11 -ldl -lm make[2]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src' make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64 || mkdir -p /build/reproducible-path/nwchem-7.2.2/build-mpich/lib/LINUX64 test -d /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64 || mkdir -p /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64 ./util/util_nwchem_version.bash make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** rm -f 64_to_32 make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src' for dir in include basis geom inp input pstat rtdb task symmetry util peigs perfm bq cons NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol 64to32blas; do \ make -C $dir 32_to_64 || exit 1 ; \ done make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/include' Nothing to be done make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/include' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/basis' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 bas_blas.F bas_blasP.F basis.F converting bas_blas.F to 32-bit integers for BLAS/LAPACK converting bas_blasP.F to 32-bit integers for BLAS/LAPACK converting basis.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/basis' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/geom' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 geom.F geom_input.F geom_print_ecce.F geom_hnd.F geom_3d.F geom_getsym.F geom_2d.F converting geom.F to 32-bit integers for BLAS/LAPACK converting geom_input.F to 32-bit integers for BLAS/LAPACK converting geom_print_ecce.F to 32-bit integers for BLAS/LAPACK converting geom_hnd.F to 32-bit integers for BLAS/LAPACK converting geom_3d.F to 32-bit integers for BLAS/LAPACK converting geom_getsym.F to 32-bit integers for BLAS/LAPACK converting geom_2d.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/geom' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/inp' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/inp' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/input' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/input' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/pstat' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/pstat' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rtdb' Making 32_to_64 in hdbm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rtdb/hdbm' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rtdb/hdbm' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rtdb' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/task' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 task_num_grad.F task_bsse.F converting task_num_grad.F to 32-bit integers for BLAS/LAPACK converting task_bsse.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/task' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/symmetry' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 sym_bs_irrep.F sym_g_sym.F sym_geom_prj.F sym_mo_adapt.F sym_op_clsfy.F sym_op_mtab.F sym_put_geom.F dosymops.F sym_abelian.F sym_bs_ir_id.F converting sym_bs_irrep.F to 32-bit integers for BLAS/LAPACK converting sym_g_sym.F to 32-bit integers for BLAS/LAPACK converting sym_geom_prj.F to 32-bit integers for BLAS/LAPACK converting sym_mo_adapt.F to 32-bit integers for BLAS/LAPACK converting sym_op_clsfy.F to 32-bit integers for BLAS/LAPACK converting sym_op_mtab.F to 32-bit integers for BLAS/LAPACK converting sym_put_geom.F to 32-bit integers for BLAS/LAPACK converting dosymops.F to 32-bit integers for BLAS/LAPACK converting sym_abelian.F to 32-bit integers for BLAS/LAPACK converting sym_bs_ir_id.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/symmetry' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/util' Making 32_to_64 in md5 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/util/md5' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/util/md5' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 util.fh ga_it_lsolve.F ga_maxelt.F ga_mix.F ga_iter_diag.F ga_orthog.F dabsmax.F ga_normf.F corr_mk_ref.F ga_it2.F ga_lkain_ext.F util_file_name.F dgefa.f util_patch_test.F stpr_sjacobi.F util_dgeev.F util_test_cholesky.F dfill.F ga_lkain_2cpl3_ext.F ga_it2.F util_poltensor.F util_dpofa.F util_dgedi.F ma_solve.F zfill.f util_memcpy.c converting util.fh to 32-bit integers for BLAS/LAPACK converting ga_it_lsolve.F to 32-bit integers for BLAS/LAPACK converting ga_maxelt.F to 32-bit integers for BLAS/LAPACK converting ga_mix.F to 32-bit integers for BLAS/LAPACK converting ga_iter_diag.F to 32-bit integers for BLAS/LAPACK converting ga_orthog.F to 32-bit integers for BLAS/LAPACK converting dabsmax.F to 32-bit integers for BLAS/LAPACK converting ga_normf.F to 32-bit integers for BLAS/LAPACK converting corr_mk_ref.F to 32-bit integers for BLAS/LAPACK converting ga_it2.F to 32-bit integers for BLAS/LAPACK converting ga_lkain_ext.F to 32-bit integers for BLAS/LAPACK converting util_file_name.F to 32-bit integers for BLAS/LAPACK converting dgefa.f to 32-bit integers for BLAS/LAPACK converting util_patch_test.F to 32-bit integers for BLAS/LAPACK converting stpr_sjacobi.F to 32-bit integers for BLAS/LAPACK converting util_dgeev.F to 32-bit integers for BLAS/LAPACK converting util_test_cholesky.F to 32-bit integers for BLAS/LAPACK converting dfill.F to 32-bit integers for BLAS/LAPACK converting ga_lkain_2cpl3_ext.F to 32-bit integers for BLAS/LAPACK converting ga_it2.F to 32-bit integers for BLAS/LAPACK converting util_poltensor.F to 32-bit integers for BLAS/LAPACK converting util_dpofa.F to 32-bit integers for BLAS/LAPACK converting util_dgedi.F to 32-bit integers for BLAS/LAPACK converting ma_solve.F to 32-bit integers for BLAS/LAPACK converting zfill.f to 32-bit integers for BLAS/LAPACK converting util_memcpy.c to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/util' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/peigs' (cd ./src/c; make 32_to_64) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/peigs/src/c' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 *c *f *F converting b_ortho.c to 32-bit integers for BLAS/LAPACK converting chol_bcst.c to 32-bit integers for BLAS/LAPACK converting choleski9.c to 32-bit integers for BLAS/LAPACK converting ci_entry.c to 32-bit integers for BLAS/LAPACK converting clustrf3.c to 32-bit integers for BLAS/LAPACK converting clustrf4.c to 32-bit integers for BLAS/LAPACK converting clustrf5.c to 32-bit integers for BLAS/LAPACK converting clustrfix.c to 32-bit integers for BLAS/LAPACK converting clustrxx3.c to 32-bit integers for BLAS/LAPACK converting clustrxx30.c to 32-bit integers for BLAS/LAPACK converting clustrxx31.c to 32-bit integers for BLAS/LAPACK converting clustrxx33.c to 32-bit integers for BLAS/LAPACK converting clustrxx4.c to 32-bit integers for BLAS/LAPACK converting clustrxx5.c to 32-bit integers for BLAS/LAPACK converting clustrxx99.c to 32-bit integers for BLAS/LAPACK converting conjug22.c to 32-bit integers for BLAS/LAPACK converting de_sym.c to 32-bit integers for BLAS/LAPACK converting exit.c to 32-bit integers for BLAS/LAPACK converting exit2.c to 32-bit integers for BLAS/LAPACK converting forLL.c to 32-bit integers for BLAS/LAPACK converting forLU.c to 32-bit integers for BLAS/LAPACK converting gmax.c to 32-bit integers for BLAS/LAPACK converting inv_it3.c to 32-bit integers for BLAS/LAPACK converting inv_it4.c to 32-bit integers for BLAS/LAPACK converting inv_it44.c to 32-bit integers for BLAS/LAPACK converting inv_it5.c to 32-bit integers for BLAS/LAPACK converting inv_it6.c to 32-bit integers for BLAS/LAPACK converting inverse.c to 32-bit integers for BLAS/LAPACK converting lu_mxm2.c to 32-bit integers for BLAS/LAPACK converting mapchk.c to 32-bit integers for BLAS/LAPACK converting mapdif.c to 32-bit integers for BLAS/LAPACK converting mapdif1.c to 32-bit integers for BLAS/LAPACK converting matmax.c to 32-bit integers for BLAS/LAPACK converting mdif2b.c to 32-bit integers for BLAS/LAPACK converting mdiff1.c to 32-bit integers for BLAS/LAPACK converting mdiff2.c to 32-bit integers for BLAS/LAPACK converting memreq.c to 32-bit integers for BLAS/LAPACK converting memreq2.c to 32-bit integers for BLAS/LAPACK converting memreq_eval.c to 32-bit integers for BLAS/LAPACK converting memreq_f.c to 32-bit integers for BLAS/LAPACK converting mgs4.c to 32-bit integers for BLAS/LAPACK converting mgs5.c to 32-bit integers for BLAS/LAPACK converting mgscs.c to 32-bit integers for BLAS/LAPACK converting mxm25.c to 32-bit integers for BLAS/LAPACK converting mxm5x.c to 32-bit integers for BLAS/LAPACK converting mxm88.c to 32-bit integers for BLAS/LAPACK converting mxm_ll1.c to 32-bit integers for BLAS/LAPACK converting onenorm.c to 32-bit integers for BLAS/LAPACK converting ortho.c to 32-bit integers for BLAS/LAPACK converting ortho2.c to 32-bit integers for BLAS/LAPACK converting pdcomplex.c to 32-bit integers for BLAS/LAPACK converting pdiff.c to 32-bit integers for BLAS/LAPACK converting pdspev_c.c to 32-bit integers for BLAS/LAPACK converting pdspeval.c to 32-bit integers for BLAS/LAPACK converting pdspevx.c to 32-bit integers for BLAS/LAPACK converting pdspgv_c.c to 32-bit integers for BLAS/LAPACK converting pdspgvx.c to 32-bit integers for BLAS/LAPACK converting pdsptri.c to 32-bit integers for BLAS/LAPACK converting pdsptri2.c to 32-bit integers for BLAS/LAPACK converting peigs_dlasq1.c to 32-bit integers for BLAS/LAPACK converting peigs_tldlfact.c to 32-bit integers for BLAS/LAPACK converting pgexit.c to 32-bit integers for BLAS/LAPACK converting pipe_fut.c to 32-bit integers for BLAS/LAPACK converting pmmLSL.c to 32-bit integers for BLAS/LAPACK converting pmmLUL.c to 32-bit integers for BLAS/LAPACK converting pmmlsl2.c to 32-bit integers for BLAS/LAPACK converting pscale.c to 32-bit integers for BLAS/LAPACK converting pstebz10.c to 32-bit integers for BLAS/LAPACK converting pstebz11.c to 32-bit integers for BLAS/LAPACK converting pstebz9.c to 32-bit integers for BLAS/LAPACK converting pstein3.c to 32-bit integers for BLAS/LAPACK converting pstein4.c to 32-bit integers for BLAS/LAPACK converting pstein44.c to 32-bit integers for BLAS/LAPACK converting pstein5.c to 32-bit integers for BLAS/LAPACK converting pxerbla.c to 32-bit integers for BLAS/LAPACK converting qsort.c to 32-bit integers for BLAS/LAPACK converting r_ritz.c to 32-bit integers for BLAS/LAPACK converting reducemap.c to 32-bit integers for BLAS/LAPACK converting resid.c to 32-bit integers for BLAS/LAPACK converting residual.c to 32-bit integers for BLAS/LAPACK converting sfnorm.c to 32-bit integers for BLAS/LAPACK converting shellsort.c to 32-bit integers for BLAS/LAPACK converting soluf.c to 32-bit integers for BLAS/LAPACK converting sonenorm.c to 32-bit integers for BLAS/LAPACK converting soort.c to 32-bit integers for BLAS/LAPACK converting sort.c to 32-bit integers for BLAS/LAPACK converting sorteig.c to 32-bit integers for BLAS/LAPACK converting tred22.c to 32-bit integers for BLAS/LAPACK converting treesort3.c to 32-bit integers for BLAS/LAPACK converting tresid.c to 32-bit integers for BLAS/LAPACK converting util.c to 32-bit integers for BLAS/LAPACK converting xerbla.c to 32-bit integers for BLAS/LAPACK converting peigs_cmod.f to 32-bit integers for BLAS/LAPACK converting gdot.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/peigs/src/c' (cd ./src/f77; make 32_to_64) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/peigs/src/f77' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 types.f inverm.F \ dgetavec.F dgetavec2.f dgetavec3.f dgetavec4.F \ dptsvx2.f converting types.f to 32-bit integers for BLAS/LAPACK converting inverm.F to 32-bit integers for BLAS/LAPACK converting dgetavec.F to 32-bit integers for BLAS/LAPACK converting dgetavec2.f to 32-bit integers for BLAS/LAPACK converting dgetavec3.f to 32-bit integers for BLAS/LAPACK converting dgetavec4.F to 32-bit integers for BLAS/LAPACK converting dptsvx2.f to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/peigs/src/f77' (cd ./comm; make 32_to_64) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/peigs/comm' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 *h *F converting cmbbfr1.h to 32-bit integers for BLAS/LAPACK converting datasizes.h to 32-bit integers for BLAS/LAPACK converting defines.h to 32-bit integers for BLAS/LAPACK converting mxsubs.h to 32-bit integers for BLAS/LAPACK converting maxx.F to 32-bit integers for BLAS/LAPACK converting mxbrod.F to 32-bit integers for BLAS/LAPACK converting mxcombv1.F to 32-bit integers for BLAS/LAPACK converting mxsubs.F to 32-bit integers for BLAS/LAPACK converting peigs_dgop.F to 32-bit integers for BLAS/LAPACK converting sum.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/peigs/comm' (cd ./ctof; make 32_to_64) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/peigs/ctof' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 *c converting bortho_f.c to 32-bit integers for BLAS/LAPACK converting choleski_f.c to 32-bit integers for BLAS/LAPACK converting inverse_f.c to 32-bit integers for BLAS/LAPACK converting mxm25_f.c to 32-bit integers for BLAS/LAPACK converting mxm5x_f.c to 32-bit integers for BLAS/LAPACK converting mxm88_f.c to 32-bit integers for BLAS/LAPACK converting onenorm_f.c to 32-bit integers for BLAS/LAPACK converting ortho_f.c to 32-bit integers for BLAS/LAPACK converting pdspev_f.c to 32-bit integers for BLAS/LAPACK converting pdspevx_f.c to 32-bit integers for BLAS/LAPACK converting pdspgv_f.c to 32-bit integers for BLAS/LAPACK converting pdspgvx_f.c to 32-bit integers for BLAS/LAPACK converting pdsptri_f.c to 32-bit integers for BLAS/LAPACK converting resid_f.c to 32-bit integers for BLAS/LAPACK converting residual_f.c to 32-bit integers for BLAS/LAPACK converting sonenorm_f.c to 32-bit integers for BLAS/LAPACK converting tresid_f.c to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/peigs/ctof' (cd ./h; make 32_to_64) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/peigs/h' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 blas_lapack.h peigs_types.h converting blas_lapack.h to 32-bit integers for BLAS/LAPACK converting peigs_types.h to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/peigs/h' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/peigs' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/perfm' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/perfm' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/bq' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 bq_input.F converting bq_input.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/bq' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cons' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 cons_data.F converting cons_data.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cons' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints' Making 32_to_64 in simint make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/simint' Making 32_to_64 in module make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/simint/module' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/simint/module' Making 32_to_64 in source make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/simint/source' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/simint/source' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/simint' Making 32_to_64 in api make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/api' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 int_1e3ov.F int_hf1sp.F int_lgen1e.F intb_2e4c.F intbd_2e4c.F intd_1e3ov.F intd_1eh1.F intd_2e2c.F intd_2e4c.F intd_mpolel.F intp_txyz.F intpd_mpolel.F intbdd_2e4c.F int_2e4c.F intdd_2e2c.F intdd_2e3c.F intd_2e3c.F intdd_2e4c.F intd_1epot.F intd_1epot_cosmo.F intpd_1eov.F intpd_2e3c.F intpd_1eke.F intpd_2e2c.F intpd_2e3ct.F converting int_1e3ov.F to 32-bit integers for BLAS/LAPACK converting int_hf1sp.F to 32-bit integers for BLAS/LAPACK converting int_lgen1e.F to 32-bit integers for BLAS/LAPACK converting intb_2e4c.F to 32-bit integers for BLAS/LAPACK converting intbd_2e4c.F to 32-bit integers for BLAS/LAPACK converting intd_1e3ov.F to 32-bit integers for BLAS/LAPACK converting intd_1eh1.F to 32-bit integers for BLAS/LAPACK converting intd_2e2c.F to 32-bit integers for BLAS/LAPACK converting intd_2e4c.F to 32-bit integers for BLAS/LAPACK converting intd_mpolel.F to 32-bit integers for BLAS/LAPACK converting intp_txyz.F to 32-bit integers for BLAS/LAPACK converting intpd_mpolel.F to 32-bit integers for BLAS/LAPACK converting intbdd_2e4c.F to 32-bit integers for BLAS/LAPACK converting int_2e4c.F to 32-bit integers for BLAS/LAPACK converting intdd_2e2c.F to 32-bit integers for BLAS/LAPACK converting intdd_2e3c.F to 32-bit integers for BLAS/LAPACK converting intd_2e3c.F to 32-bit integers for BLAS/LAPACK converting intdd_2e4c.F to 32-bit integers for BLAS/LAPACK converting intd_1epot.F to 32-bit integers for BLAS/LAPACK converting intd_1epot_cosmo.F to 32-bit integers for BLAS/LAPACK converting intpd_1eov.F to 32-bit integers for BLAS/LAPACK converting intpd_2e3c.F to 32-bit integers for BLAS/LAPACK converting intpd_1eke.F to 32-bit integers for BLAS/LAPACK converting intpd_2e2c.F to 32-bit integers for BLAS/LAPACK converting intpd_2e3ct.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/api' Making 32_to_64 in int make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/int' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 hf2oi.f hfkei.f hfnai.f hfnai_er.F hf2.F igamma.F hferi.F hf1.F hf1mke3.f converting hf2oi.f to 32-bit integers for BLAS/LAPACK converting hfkei.f to 32-bit integers for BLAS/LAPACK converting hfnai.f to 32-bit integers for BLAS/LAPACK converting hfnai_er.F to 32-bit integers for BLAS/LAPACK converting hf2.F to 32-bit integers for BLAS/LAPACK converting igamma.F to 32-bit integers for BLAS/LAPACK converting hferi.F to 32-bit integers for BLAS/LAPACK converting hf1.F to 32-bit integers for BLAS/LAPACK converting hf1mke3.f to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/int' Making 32_to_64 in auxil make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/auxil' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 int_spcart.F spherical.F xlm_norm.F xlmcoeff.F int_norm_2c.F int_spcart2.F converting int_spcart.F to 32-bit integers for BLAS/LAPACK converting spherical.F to 32-bit integers for BLAS/LAPACK converting xlm_norm.F to 32-bit integers for BLAS/LAPACK converting xlmcoeff.F to 32-bit integers for BLAS/LAPACK converting int_norm_2c.F to 32-bit integers for BLAS/LAPACK converting int_spcart2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/auxil' Making 32_to_64 in ints_sp make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/ints_sp' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 sp1111.F converting sp1111.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/ints_sp' Making 32_to_64 in deriv make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/deriv' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 hf1PRtoAB.f hf1d.F hf2PRtoAB.f hf2QStoCD.f hf2d.F hf2d_2a.F hf2d_2a2b.F hf2d_2b.F hf2d_3a.F hf2d_3a2b.F hfd3oi.F hf2d_all.F hfderi.F hf1d_cosmo.F converting hf1PRtoAB.f to 32-bit integers for BLAS/LAPACK converting hf1d.F to 32-bit integers for BLAS/LAPACK converting hf2PRtoAB.f to 32-bit integers for BLAS/LAPACK converting hf2QStoCD.f to 32-bit integers for BLAS/LAPACK converting hf2d.F to 32-bit integers for BLAS/LAPACK converting hf2d_2a.F to 32-bit integers for BLAS/LAPACK converting hf2d_2a2b.F to 32-bit integers for BLAS/LAPACK converting hf2d_2b.F to 32-bit integers for BLAS/LAPACK converting hf2d_3a.F to 32-bit integers for BLAS/LAPACK converting hf2d_3a2b.F to 32-bit integers for BLAS/LAPACK converting hfd3oi.F to 32-bit integers for BLAS/LAPACK converting hf2d_all.F to 32-bit integers for BLAS/LAPACK converting hfderi.F to 32-bit integers for BLAS/LAPACK converting hf1d_cosmo.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/deriv' Making 32_to_64 in texas make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/texas' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 amshift.F big_service.F trobsa.F getmem.F converting amshift.F to 32-bit integers for BLAS/LAPACK converting big_service.F to 32-bit integers for BLAS/LAPACK converting trobsa.F to 32-bit integers for BLAS/LAPACK converting getmem.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/texas' Making 32_to_64 in ecp make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/ecp' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 ecp_bess_pow.f ecp_cart_xpd.F ecp_cstrans.F ecp_grad_a.F ecp_grad_b.F ecp_gradient.F ecp_hessian.F ecp_int0.F ecp_int1.F ecp_int2.F ecp_integral.F ecp_local0.F ecp_local1.F ecp_local2.F ecp_locint1.F ecp_radint0.F ecp_radint1.F ecp_radint2.F ecp_s2ccoef.f ecp_so_ang.F ecp_t1_Q0asy.F ecp_t1_Q3asy.F ecp_t1_Q0pow.F ecp_t1_Q1pow.F ecp_t1_Q3pow.F ecp_t2_p0pow.F ecp_t2_p1pow.F ecp_t2_p3pow.F ecp_t2_p4pow.F ecp_skipint.F int_ecp.F converting ecp_bess_pow.f to 32-bit integers for BLAS/LAPACK converting ecp_cart_xpd.F to 32-bit integers for BLAS/LAPACK converting ecp_cstrans.F to 32-bit integers for BLAS/LAPACK converting ecp_grad_a.F to 32-bit integers for BLAS/LAPACK converting ecp_grad_b.F to 32-bit integers for BLAS/LAPACK converting ecp_gradient.F to 32-bit integers for BLAS/LAPACK converting ecp_hessian.F to 32-bit integers for BLAS/LAPACK converting ecp_int0.F to 32-bit integers for BLAS/LAPACK converting ecp_int1.F to 32-bit integers for BLAS/LAPACK converting ecp_int2.F to 32-bit integers for BLAS/LAPACK converting ecp_integral.F to 32-bit integers for BLAS/LAPACK converting ecp_local0.F to 32-bit integers for BLAS/LAPACK converting ecp_local1.F to 32-bit integers for BLAS/LAPACK converting ecp_local2.F to 32-bit integers for BLAS/LAPACK converting ecp_locint1.F to 32-bit integers for BLAS/LAPACK converting ecp_radint0.F to 32-bit integers for BLAS/LAPACK converting ecp_radint1.F to 32-bit integers for BLAS/LAPACK converting ecp_radint2.F to 32-bit integers for BLAS/LAPACK converting ecp_s2ccoef.f to 32-bit integers for BLAS/LAPACK converting ecp_so_ang.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q0asy.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q3asy.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q0pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q1pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q3pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t2_p0pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t2_p1pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t2_p3pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t2_p4pow.F to 32-bit integers for BLAS/LAPACK converting ecp_skipint.F to 32-bit integers for BLAS/LAPACK converting int_ecp.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/ecp' Making 32_to_64 in hondo make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/hondo' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 hnd_stvint.F hnd_stvintd.F hnd_stvintdd.F hnd_elfder.F hnd_pso.F hnd_ops.F hnd_dso.F hnd_giaoh11.F hnd_giaoh01.F hnd_giaotv10.F hnd_giaobq10.F hnd_giaol10.F hnd_giaos10.F hnd_giaos100.F hnd_vstat.F hnd_veloc.F hnd_dipder.F hnd_angmom.F hnd_dipvel.F hnd_giahnd.F converting hnd_stvint.F to 32-bit integers for BLAS/LAPACK converting hnd_stvintd.F to 32-bit integers for BLAS/LAPACK converting hnd_stvintdd.F to 32-bit integers for BLAS/LAPACK converting hnd_elfder.F to 32-bit integers for BLAS/LAPACK converting hnd_pso.F to 32-bit integers for BLAS/LAPACK converting hnd_ops.F to 32-bit integers for BLAS/LAPACK converting hnd_dso.F to 32-bit integers for BLAS/LAPACK converting hnd_giaoh11.F to 32-bit integers for BLAS/LAPACK converting hnd_giaoh01.F to 32-bit integers for BLAS/LAPACK converting hnd_giaotv10.F to 32-bit integers for BLAS/LAPACK converting hnd_giaobq10.F to 32-bit integers for BLAS/LAPACK converting hnd_giaol10.F to 32-bit integers for BLAS/LAPACK converting hnd_giaos10.F to 32-bit integers for BLAS/LAPACK converting hnd_giaos100.F to 32-bit integers for BLAS/LAPACK converting hnd_vstat.F to 32-bit integers for BLAS/LAPACK converting hnd_veloc.F to 32-bit integers for BLAS/LAPACK converting hnd_dipder.F to 32-bit integers for BLAS/LAPACK converting hnd_angmom.F to 32-bit integers for BLAS/LAPACK converting hnd_dipvel.F to 32-bit integers for BLAS/LAPACK converting hnd_giahnd.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/hondo' Making 32_to_64 in rel make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/rel' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 rel_onel.F rel_oneld.F rel_mpole.F rel_2e4c_sf.F rel_LLSS.F rel_SSLL.F rel_SSSS.F rel_2e4cd_sf.F rel_LLSSd.F rel_SSLLd.F rel_SSSSd.F rel_pot.F rel_oneld_cosmo.F rel_pot2.F converting rel_onel.F to 32-bit integers for BLAS/LAPACK converting rel_oneld.F to 32-bit integers for BLAS/LAPACK converting rel_mpole.F to 32-bit integers for BLAS/LAPACK converting rel_2e4c_sf.F to 32-bit integers for BLAS/LAPACK converting rel_LLSS.F to 32-bit integers for BLAS/LAPACK converting rel_SSLL.F to 32-bit integers for BLAS/LAPACK converting rel_SSSS.F to 32-bit integers for BLAS/LAPACK converting rel_2e4cd_sf.F to 32-bit integers for BLAS/LAPACK converting rel_LLSSd.F to 32-bit integers for BLAS/LAPACK converting rel_SSLLd.F to 32-bit integers for BLAS/LAPACK converting rel_SSSSd.F to 32-bit integers for BLAS/LAPACK converting rel_pot.F to 32-bit integers for BLAS/LAPACK converting rel_oneld_cosmo.F to 32-bit integers for BLAS/LAPACK converting rel_pot2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/rel' Making 32_to_64 in dk make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/dk' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 int_1edk_ga.F int_1edkso_ga.F converting int_1edk_ga.F to 32-bit integers for BLAS/LAPACK converting int_1edkso_ga.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints/dk' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/NWints' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/atomscf' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 atomd.F atscf_atscf.F atscf_ecp.F converting atomd.F to 32-bit integers for BLAS/LAPACK converting atscf_atscf.F to 32-bit integers for BLAS/LAPACK converting atscf_ecp.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/atomscf' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ddscf' Making 32_to_64 in fast make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ddscf/fast' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 potential.F pot_shell.F fmm.F newfmm.F testfmm.F cart_trans.F xlm_poles.F fastj.F solver.F cheby.F converting potential.F to 32-bit integers for BLAS/LAPACK converting pot_shell.F to 32-bit integers for BLAS/LAPACK converting fmm.F to 32-bit integers for BLAS/LAPACK converting newfmm.F to 32-bit integers for BLAS/LAPACK converting testfmm.F to 32-bit integers for BLAS/LAPACK converting cart_trans.F to 32-bit integers for BLAS/LAPACK converting xlm_poles.F to 32-bit integers for BLAS/LAPACK converting fastj.F to 32-bit integers for BLAS/LAPACK converting solver.F to 32-bit integers for BLAS/LAPACK converting cheby.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ddscf/fast' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 ao_fock_2e.F ao_replicated.F fock_2e_file.F fock_2e_slab.F int2e_file.F movecs_lock.F movecs_phase.F riscf_fock.F riscf_trans.F rohf_diis.F rohf_k2cf.F scf_movecs.F scf_vec_guess.F uhf.F movecs_frag.F localize.F fock_2e.F fock_2e_cam.F int_1e_ga.F movecs_rotate.F vectors.F ga_get2eri.F cosmo_fock.F converting ao_fock_2e.F to 32-bit integers for BLAS/LAPACK converting ao_replicated.F to 32-bit integers for BLAS/LAPACK converting fock_2e_file.F to 32-bit integers for BLAS/LAPACK converting fock_2e_slab.F to 32-bit integers for BLAS/LAPACK converting int2e_file.F to 32-bit integers for BLAS/LAPACK converting movecs_lock.F to 32-bit integers for BLAS/LAPACK converting movecs_phase.F to 32-bit integers for BLAS/LAPACK converting riscf_fock.F to 32-bit integers for BLAS/LAPACK converting riscf_trans.F to 32-bit integers for BLAS/LAPACK converting rohf_diis.F to 32-bit integers for BLAS/LAPACK converting rohf_k2cf.F to 32-bit integers for BLAS/LAPACK converting scf_movecs.F to 32-bit integers for BLAS/LAPACK converting scf_vec_guess.F to 32-bit integers for BLAS/LAPACK converting uhf.F to 32-bit integers for BLAS/LAPACK converting movecs_frag.F to 32-bit integers for BLAS/LAPACK converting localize.F to 32-bit integers for BLAS/LAPACK converting fock_2e.F to 32-bit integers for BLAS/LAPACK converting fock_2e_cam.F to 32-bit integers for BLAS/LAPACK converting int_1e_ga.F to 32-bit integers for BLAS/LAPACK converting movecs_rotate.F to 32-bit integers for BLAS/LAPACK converting vectors.F to 32-bit integers for BLAS/LAPACK converting ga_get2eri.F to 32-bit integers for BLAS/LAPACK converting cosmo_fock.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ddscf' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/gradients' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 grad2.F ga_reorder.F grad_dens.F converting grad2.F to 32-bit integers for BLAS/LAPACK converting ga_reorder.F to 32-bit integers for BLAS/LAPACK converting grad_dens.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/gradients' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/moints' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 moints_2x.F moints_6x.F moints_aux2.F moints_ccsd.F moints_full.F moints_semi.F sifs0.F sifs1.F converting moints_2x.F to 32-bit integers for BLAS/LAPACK converting moints_6x.F to 32-bit integers for BLAS/LAPACK converting moints_aux2.F to 32-bit integers for BLAS/LAPACK converting moints_ccsd.F to 32-bit integers for BLAS/LAPACK converting moints_full.F to 32-bit integers for BLAS/LAPACK converting moints_semi.F to 32-bit integers for BLAS/LAPACK converting sifs0.F to 32-bit integers for BLAS/LAPACK converting sifs1.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/moints' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft' Making 32_to_64 in include make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/include' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 xc_vwn_a.fh converting xc_vwn_a.fh to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/include' Making 32_to_64 in input_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/input_dft' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/input_dft' Making 32_to_64 in scf_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/scf_dft' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 dft_mxovl.F diis_bld12.F diis_bsolve.F dft_densm.F dft_swapab.F dft_canorg.F cdft_util.F dft_diagn.F dft_spinflip.F dft_pstat.F converting dft_mxovl.F to 32-bit integers for BLAS/LAPACK converting diis_bld12.F to 32-bit integers for BLAS/LAPACK converting diis_bsolve.F to 32-bit integers for BLAS/LAPACK converting dft_densm.F to 32-bit integers for BLAS/LAPACK converting dft_swapab.F to 32-bit integers for BLAS/LAPACK converting dft_canorg.F to 32-bit integers for BLAS/LAPACK converting cdft_util.F to 32-bit integers for BLAS/LAPACK converting dft_diagn.F to 32-bit integers for BLAS/LAPACK converting dft_spinflip.F to 32-bit integers for BLAS/LAPACK converting dft_pstat.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/scf_dft' Making 32_to_64 in scf_dft_cg make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/scf_dft_cg' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/scf_dft_cg' Making 32_to_64 in so_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/so_dft' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 dft_mxovlso.F diis_bld12_so.F diis_bsolve_so.F sym_mo_adapt_so.F sym_op_clsfy_so.F dft_scf_so.F ga_orthog_so.F dft_scf_utils_so.F dft_densmso.F converting dft_mxovlso.F to 32-bit integers for BLAS/LAPACK converting diis_bld12_so.F to 32-bit integers for BLAS/LAPACK converting diis_bsolve_so.F to 32-bit integers for BLAS/LAPACK converting sym_mo_adapt_so.F to 32-bit integers for BLAS/LAPACK converting sym_op_clsfy_so.F to 32-bit integers for BLAS/LAPACK converting dft_scf_so.F to 32-bit integers for BLAS/LAPACK converting ga_orthog_so.F to 32-bit integers for BLAS/LAPACK converting dft_scf_utils_so.F to 32-bit integers for BLAS/LAPACK converting dft_densmso.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/so_dft' Making 32_to_64 in coulomb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/coulomb' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 dft_fitcd.F dft_fitvc.F dft_genspm.F dft_3cincor.F dft_get2eri.F converting dft_fitcd.F to 32-bit integers for BLAS/LAPACK converting dft_fitvc.F to 32-bit integers for BLAS/LAPACK converting dft_genspm.F to 32-bit integers for BLAS/LAPACK converting dft_3cincor.F to 32-bit integers for BLAS/LAPACK converting dft_get2eri.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/coulomb' Making 32_to_64 in xc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/xc' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 xc_fitv.F xc_dirac.F xc_bnl.F xc_att_xc.F xc_tabcd.F xc_rhogen.F xc_oep.F xc_sic_pert.F xc_sic.F localize_sic.F xc_eval_basis.F xc_eval_fnl.F xc_fd.F xc_optc.F xc_atomblock.F scat_mat.F xc_replicated.F xc_vdw_main.F xc_vdw_util.F xc_3rd_deriv.F xc_hcth.F ts_tf.F xc_xn12.F xc_util.F xc_tabcd_adft.F xc_rhogen_adft.F xc_getvxc.F xc_lb94.F converting xc_fitv.F to 32-bit integers for BLAS/LAPACK converting xc_dirac.F to 32-bit integers for BLAS/LAPACK converting xc_bnl.F to 32-bit integers for BLAS/LAPACK converting xc_att_xc.F to 32-bit integers for BLAS/LAPACK converting xc_tabcd.F to 32-bit integers for BLAS/LAPACK converting xc_rhogen.F to 32-bit integers for BLAS/LAPACK converting xc_oep.F to 32-bit integers for BLAS/LAPACK converting xc_sic_pert.F to 32-bit integers for BLAS/LAPACK converting xc_sic.F to 32-bit integers for BLAS/LAPACK converting localize_sic.F to 32-bit integers for BLAS/LAPACK converting xc_eval_basis.F to 32-bit integers for BLAS/LAPACK converting xc_eval_fnl.F to 32-bit integers for BLAS/LAPACK converting xc_fd.F to 32-bit integers for BLAS/LAPACK converting xc_optc.F to 32-bit integers for BLAS/LAPACK converting xc_atomblock.F to 32-bit integers for BLAS/LAPACK converting scat_mat.F to 32-bit integers for BLAS/LAPACK converting xc_replicated.F to 32-bit integers for BLAS/LAPACK converting xc_vdw_main.F to 32-bit integers for BLAS/LAPACK converting xc_vdw_util.F to 32-bit integers for BLAS/LAPACK converting xc_3rd_deriv.F to 32-bit integers for BLAS/LAPACK converting xc_hcth.F to 32-bit integers for BLAS/LAPACK converting ts_tf.F to 32-bit integers for BLAS/LAPACK converting xc_xn12.F to 32-bit integers for BLAS/LAPACK converting xc_util.F to 32-bit integers for BLAS/LAPACK converting xc_tabcd_adft.F to 32-bit integers for BLAS/LAPACK converting xc_rhogen_adft.F to 32-bit integers for BLAS/LAPACK converting xc_getvxc.F to 32-bit integers for BLAS/LAPACK converting xc_lb94.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/xc' Making 32_to_64 in util make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/util' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 ga_chol_seq.F ga_inv_seq.F int_1e_fde.F dft_utilmap.F converting ga_chol_seq.F to 32-bit integers for BLAS/LAPACK converting ga_inv_seq.F to 32-bit integers for BLAS/LAPACK converting int_1e_fde.F to 32-bit integers for BLAS/LAPACK converting dft_utilmap.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/util' Making 32_to_64 in grid make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/grid' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 grid_invariant.F grid_beckew.F grid_file.F grid_setspac.F grid_quadv0a.F grid_quadv0b.F grid_quadvw.F grid_tasks.F grid_pscreen.F grid_quadvw1.F grid_xcfit.F grid_sympts.F grid_ssw.F grid_finpts.F grid_ylm.F grid_eaf.F converting grid_invariant.F to 32-bit integers for BLAS/LAPACK converting grid_beckew.F to 32-bit integers for BLAS/LAPACK converting grid_file.F to 32-bit integers for BLAS/LAPACK converting grid_setspac.F to 32-bit integers for BLAS/LAPACK converting grid_quadv0a.F to 32-bit integers for BLAS/LAPACK converting grid_quadv0b.F to 32-bit integers for BLAS/LAPACK converting grid_quadvw.F to 32-bit integers for BLAS/LAPACK converting grid_tasks.F to 32-bit integers for BLAS/LAPACK converting grid_pscreen.F to 32-bit integers for BLAS/LAPACK converting grid_quadvw1.F to 32-bit integers for BLAS/LAPACK converting grid_xcfit.F to 32-bit integers for BLAS/LAPACK converting grid_sympts.F to 32-bit integers for BLAS/LAPACK converting grid_ssw.F to 32-bit integers for BLAS/LAPACK converting grid_finpts.F to 32-bit integers for BLAS/LAPACK converting grid_ylm.F to 32-bit integers for BLAS/LAPACK converting grid_eaf.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/grid' Making 32_to_64 in dftgrad make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/dftgrad' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 dftg_cdfit.F dftg_quadv0b.F dftg_wderiv.F j_nucder_gen.F dft_gradients.F dftg_gridv0a.F dftg_gridv0b.F dftg_quadv0b_adft.F converting dftg_cdfit.F to 32-bit integers for BLAS/LAPACK converting dftg_quadv0b.F to 32-bit integers for BLAS/LAPACK converting dftg_wderiv.F to 32-bit integers for BLAS/LAPACK converting j_nucder_gen.F to 32-bit integers for BLAS/LAPACK converting dft_gradients.F to 32-bit integers for BLAS/LAPACK converting dftg_gridv0a.F to 32-bit integers for BLAS/LAPACK converting dftg_gridv0b.F to 32-bit integers for BLAS/LAPACK converting dftg_quadv0b_adft.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/dftgrad' Making 32_to_64 in lr_tddft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/lr_tddft' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 tddft_diagon.F tddft_transfm.F tddft_analysis.F tddft_restart.F tddft_civecs_phase.F tddft_fock_fit.F tddft_memory.F converting tddft_diagon.F to 32-bit integers for BLAS/LAPACK converting tddft_transfm.F to 32-bit integers for BLAS/LAPACK converting tddft_analysis.F to 32-bit integers for BLAS/LAPACK converting tddft_restart.F to 32-bit integers for BLAS/LAPACK converting tddft_civecs_phase.F to 32-bit integers for BLAS/LAPACK converting tddft_fock_fit.F to 32-bit integers for BLAS/LAPACK converting tddft_memory.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/lr_tddft' Making 32_to_64 in lr_tddft_grad make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/lr_tddft_grad' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 tddft_grad_gxc.F tddft_grad_compute_w.F tddft_grad_dxcdmat.F tddft_grad_dfxc.F tddft_grad_quadv0b.F tddft_grad_dvxc.F tddft_grad_compute_g.F converting tddft_grad_gxc.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_compute_w.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_dxcdmat.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_dfxc.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_quadv0b.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_dvxc.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_compute_g.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/lr_tddft_grad' Making 32_to_64 in zora make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/zora' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 dft_zora_NMR.F dft_zora_EPR-NMR_tools.F zora_tabcd.F dft_zora_EPR.F dft_zora_Hyperfine.F zora_tabcd_EFG.F dft_zora_utils_so.F zora_getv_HFine.F converting dft_zora_NMR.F to 32-bit integers for BLAS/LAPACK converting dft_zora_EPR-NMR_tools.F to 32-bit integers for BLAS/LAPACK converting zora_tabcd.F to 32-bit integers for BLAS/LAPACK converting dft_zora_EPR.F to 32-bit integers for BLAS/LAPACK converting dft_zora_Hyperfine.F to 32-bit integers for BLAS/LAPACK converting zora_tabcd_EFG.F to 32-bit integers for BLAS/LAPACK converting dft_zora_utils_so.F to 32-bit integers for BLAS/LAPACK converting zora_getv_HFine.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/zora' Making 32_to_64 in spec make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/spec' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 dft_polfromsos.F converting dft_polfromsos.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/spec' Making 32_to_64 in rt_tddft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft' Making 32_to_64 in matutils make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/matutils' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 zmat_diag.F zmat_inv.F converting zmat_diag.F to 32-bit integers for BLAS/LAPACK converting zmat_inv.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/matutils' Making 32_to_64 in rtutils make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/rtutils' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/rtutils' Making 32_to_64 in input make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/input' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/input' Making 32_to_64 in init make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/init' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/init' Making 32_to_64 in canorg make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/canorg' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/canorg' Making 32_to_64 in propagators make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/propagators' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/propagators' Making 32_to_64 in closedshell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/closedshell' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/closedshell' Making 32_to_64 in openshell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/openshell' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft/openshell' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/rt_tddft' Making 32_to_64 in libxc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/libxc' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 nwchem_libxc_compute.F converting nwchem_libxc_compute.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/libxc' Making 32_to_64 in x2c make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/x2c' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft/x2c' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwdft' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rimp2' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 dgecop.F eval_3ci.F rimp2_v_e2.F xf3ci_s12a.F xf3ci_s12b.F converting dgecop.F to 32-bit integers for BLAS/LAPACK converting eval_3ci.F to 32-bit integers for BLAS/LAPACK converting rimp2_v_e2.F to 32-bit integers for BLAS/LAPACK converting xf3ci_s12a.F to 32-bit integers for BLAS/LAPACK converting xf3ci_s12b.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/rimp2' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/stepper' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 stpr_driver.F stpr_mkstep.F stpr_partit.F stpr_gh_at.F converting stpr_driver.F to 32-bit integers for BLAS/LAPACK converting stpr_mkstep.F to 32-bit integers for BLAS/LAPACK converting stpr_partit.F to 32-bit integers for BLAS/LAPACK converting stpr_gh_at.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/stepper' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/driver' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 opt_drv.F oniom.F lbfgs.F lbfgs-b.F lbfgs-b_driver.F socket_driver.F converting opt_drv.F to 32-bit integers for BLAS/LAPACK converting oniom.F to 32-bit integers for BLAS/LAPACK converting lbfgs.F to 32-bit integers for BLAS/LAPACK converting lbfgs-b.F to 32-bit integers for BLAS/LAPACK converting lbfgs-b_driver.F to 32-bit integers for BLAS/LAPACK converting socket_driver.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/driver' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim' Making 32_to_64 in deloc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/deloc' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/deloc' Making 32_to_64 in mepgs make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/mepgs' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 mepgs_drv.F converting mepgs_drv.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/mepgs' Making 32_to_64 in tropt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/tropt' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 tropt_drv.F converting tropt_drv.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/tropt' Making 32_to_64 in neb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/neb' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 neb_drv.F neb_utils.F bead_list.F neb_input.F converting neb_drv.F to 32-bit integers for BLAS/LAPACK converting neb_utils.F to 32-bit integers for BLAS/LAPACK converting bead_list.F to 32-bit integers for BLAS/LAPACK converting neb_input.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/neb' Making 32_to_64 in string make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/string' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 string.F converting string.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim/string' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/optim' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cphf' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cphf' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ccsd' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 ccsd_itm.F ccsd_itm_omp.F ccsd_t2pm.F ccsd_iterdrv2.F ccsd_pampt2.F ccsd_pampt3.F ccsd_idx1.F ccsd_idx2.F ccsd_idx34.F ccsd_pdiis.F ccsd_sortmo.F ccsd_trpdrv.F ccsd_trpdrv_nb.F ccsd_trpdrv_omp.F ccsd_trpdrv_omp_mixprec.F moints_trp.F ccsd_zvecs.F ccsd_z2pm.F ccsd_tzinta.F ccsd_tzintb.F ccsd_zsig1.F ccsd_zsig2.F ccden_interm2.F ccden_1pdm.F geaxpy.F ccsd_mktau_ga.F ccden_2pdmb.F aoccsd2.F ccsd_fsig1.F ccsd_fsig2.F ccsd_trpdrv_bgp2.F ccsd_trpdrv_offload.F ccsd_trpdrv_openacc.F moints_trp.F converting ccsd_itm.F to 32-bit integers for BLAS/LAPACK converting ccsd_itm_omp.F to 32-bit integers for BLAS/LAPACK converting ccsd_t2pm.F to 32-bit integers for BLAS/LAPACK converting ccsd_iterdrv2.F to 32-bit integers for BLAS/LAPACK converting ccsd_pampt2.F to 32-bit integers for BLAS/LAPACK converting ccsd_pampt3.F to 32-bit integers for BLAS/LAPACK converting ccsd_idx1.F to 32-bit integers for BLAS/LAPACK converting ccsd_idx2.F to 32-bit integers for BLAS/LAPACK converting ccsd_idx34.F to 32-bit integers for BLAS/LAPACK converting ccsd_pdiis.F to 32-bit integers for BLAS/LAPACK converting ccsd_sortmo.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_nb.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_omp.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_omp_mixprec.F to 32-bit integers for BLAS/LAPACK converting moints_trp.F to 32-bit integers for BLAS/LAPACK converting ccsd_zvecs.F to 32-bit integers for BLAS/LAPACK converting ccsd_z2pm.F to 32-bit integers for BLAS/LAPACK converting ccsd_tzinta.F to 32-bit integers for BLAS/LAPACK converting ccsd_tzintb.F to 32-bit integers for BLAS/LAPACK converting ccsd_zsig1.F to 32-bit integers for BLAS/LAPACK converting ccsd_zsig2.F to 32-bit integers for BLAS/LAPACK converting ccden_interm2.F to 32-bit integers for BLAS/LAPACK converting ccden_1pdm.F to 32-bit integers for BLAS/LAPACK converting geaxpy.F to 32-bit integers for BLAS/LAPACK converting ccsd_mktau_ga.F to 32-bit integers for BLAS/LAPACK converting ccden_2pdmb.F to 32-bit integers for BLAS/LAPACK converting aoccsd2.F to 32-bit integers for BLAS/LAPACK converting ccsd_fsig1.F to 32-bit integers for BLAS/LAPACK converting ccsd_fsig2.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_bgp2.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_offload.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_openacc.F to 32-bit integers for BLAS/LAPACK converting moints_trp.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ccsd' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/vib' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 vib_eckart.F vib_hmass.F vib_intense.F vib_nmass.F vib_tors.F vib_vib.F vib_wrtfreq.F vib_istep.F vib_thermo.F vib_phonon.F converting vib_eckart.F to 32-bit integers for BLAS/LAPACK converting vib_hmass.F to 32-bit integers for BLAS/LAPACK converting vib_intense.F to 32-bit integers for BLAS/LAPACK converting vib_nmass.F to 32-bit integers for BLAS/LAPACK converting vib_tors.F to 32-bit integers for BLAS/LAPACK converting vib_vib.F to 32-bit integers for BLAS/LAPACK converting vib_wrtfreq.F to 32-bit integers for BLAS/LAPACK converting vib_istep.F to 32-bit integers for BLAS/LAPACK converting vib_thermo.F to 32-bit integers for BLAS/LAPACK converting vib_phonon.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/vib' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mcscf' Making 32_to_64 in detci make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mcscf/detci' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 detci_aux.F detci_dens.F detci_diag.F detci_sigma.F detci_spin.F converting detci_aux.F to 32-bit integers for BLAS/LAPACK converting detci_dens.F to 32-bit integers for BLAS/LAPACK converting detci_diag.F to 32-bit integers for BLAS/LAPACK converting detci_sigma.F to 32-bit integers for BLAS/LAPACK converting detci_spin.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mcscf/detci' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 hmat.F mcscf_aux.F mcscf_b.F mcscf_debug.F mcscf_fock.F mcscf_ohvmo.F mcscf_orb.F mcscf_prcnd.F mcscf.F converting hmat.F to 32-bit integers for BLAS/LAPACK converting mcscf_aux.F to 32-bit integers for BLAS/LAPACK converting mcscf_b.F to 32-bit integers for BLAS/LAPACK converting mcscf_debug.F to 32-bit integers for BLAS/LAPACK converting mcscf_fock.F to 32-bit integers for BLAS/LAPACK converting mcscf_ohvmo.F to 32-bit integers for BLAS/LAPACK converting mcscf_orb.F to 32-bit integers for BLAS/LAPACK converting mcscf_prcnd.F to 32-bit integers for BLAS/LAPACK converting mcscf.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mcscf' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/prepar' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/prepar' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/esp' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 esp_esp.F esp_denmat.F converting esp_esp.F to 32-bit integers for BLAS/LAPACK converting esp_denmat.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/esp' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/hessian' Making 32_to_64 in analytic make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/hessian/analytic' Making 32_to_64 in dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/hessian/analytic/dft' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 xc_cpks_coeff.F xc_d2expl.F xc_nucder_gen.F converting xc_cpks_coeff.F to 32-bit integers for BLAS/LAPACK converting xc_d2expl.F to 32-bit integers for BLAS/LAPACK converting xc_nucder_gen.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/hessian/analytic/dft' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 onedd_calc.F hess_restart.F shell_fock_build.F shell_fock_build_cam.F twodd_cont.F converting onedd_calc.F to 32-bit integers for BLAS/LAPACK converting hess_restart.F to 32-bit integers for BLAS/LAPACK converting shell_fock_build.F to 32-bit integers for BLAS/LAPACK converting shell_fock_build_cam.F to 32-bit integers for BLAS/LAPACK converting twodd_cont.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/hessian/analytic' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 hess_blas.F converting hess_blas.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/hessian' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/selci' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 davids.F fcidim.F makeh.F makehs.F makhdb.F tester.F selci_hpp.F couple.c converting davids.F to 32-bit integers for BLAS/LAPACK converting fcidim.F to 32-bit integers for BLAS/LAPACK converting makeh.F to 32-bit integers for BLAS/LAPACK converting makehs.F to 32-bit integers for BLAS/LAPACK converting makhdb.F to 32-bit integers for BLAS/LAPACK converting tester.F to 32-bit integers for BLAS/LAPACK converting selci_hpp.F to 32-bit integers for BLAS/LAPACK converting couple.c to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/selci' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dplot' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 dplot.F dmat.F create_contour.F get_charges.F dplot_dos.F converting dplot.F to 32-bit integers for BLAS/LAPACK converting dmat.F to 32-bit integers for BLAS/LAPACK converting create_contour.F to 32-bit integers for BLAS/LAPACK converting get_charges.F to 32-bit integers for BLAS/LAPACK converting dplot_dos.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dplot' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mp2_grad' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 mp2_energy.F mp2_lai_uhf.F mp2_make_tuhf.F mp2_pijab_uhf.F mp2_wai_uhf.F mp2_wijab_uhf.F mp2_back_transform.F mp2_read_tiajb.F converting mp2_energy.F to 32-bit integers for BLAS/LAPACK converting mp2_lai_uhf.F to 32-bit integers for BLAS/LAPACK converting mp2_make_tuhf.F to 32-bit integers for BLAS/LAPACK converting mp2_pijab_uhf.F to 32-bit integers for BLAS/LAPACK converting mp2_wai_uhf.F to 32-bit integers for BLAS/LAPACK converting mp2_wijab_uhf.F to 32-bit integers for BLAS/LAPACK converting mp2_back_transform.F to 32-bit integers for BLAS/LAPACK converting mp2_read_tiajb.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mp2_grad' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/qhop' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/qhop' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/property' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 hnd_elfcon.F wnbofile.F hnd_spinspin.F hnd_mtpole.F hnd_mulken.F hnd_elpmap.F hnd_elfmap.F hnd_mtpcon.F giaofock.F hnd_spinspin.F aoresponse_driver.F raman.F hnd_efgmap_z4.F hnd_gshift_zora.F wshldfile.F int_giao_1ega.F whypfile.F wefgfile.F aoresponse_driver_new.F hnd_elfcon_symm.F wgshiftfile.F hnd_hyperfine_zora.F hnd_eldmap_grid.F ibo_localization.F converting hnd_elfcon.F to 32-bit integers for BLAS/LAPACK converting wnbofile.F to 32-bit integers for BLAS/LAPACK converting hnd_spinspin.F to 32-bit integers for BLAS/LAPACK converting hnd_mtpole.F to 32-bit integers for BLAS/LAPACK converting hnd_mulken.F to 32-bit integers for BLAS/LAPACK converting hnd_elpmap.F to 32-bit integers for BLAS/LAPACK converting hnd_elfmap.F to 32-bit integers for BLAS/LAPACK converting hnd_mtpcon.F to 32-bit integers for BLAS/LAPACK converting giaofock.F to 32-bit integers for BLAS/LAPACK converting hnd_spinspin.F to 32-bit integers for BLAS/LAPACK converting aoresponse_driver.F to 32-bit integers for BLAS/LAPACK converting raman.F to 32-bit integers for BLAS/LAPACK converting hnd_efgmap_z4.F to 32-bit integers for BLAS/LAPACK converting hnd_gshift_zora.F to 32-bit integers for BLAS/LAPACK converting wshldfile.F to 32-bit integers for BLAS/LAPACK converting int_giao_1ega.F to 32-bit integers for BLAS/LAPACK converting whypfile.F to 32-bit integers for BLAS/LAPACK converting wefgfile.F to 32-bit integers for BLAS/LAPACK converting aoresponse_driver_new.F to 32-bit integers for BLAS/LAPACK converting hnd_elfcon_symm.F to 32-bit integers for BLAS/LAPACK converting wgshiftfile.F to 32-bit integers for BLAS/LAPACK converting hnd_hyperfine_zora.F to 32-bit integers for BLAS/LAPACK converting hnd_eldmap_grid.F to 32-bit integers for BLAS/LAPACK converting ibo_localization.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/property' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/solvation' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 hnd_cosmo_lib.F cosmo_lebedev.F cosmo_thomson.F grad_hnd_cos.F hnd_coschg.F converting hnd_cosmo_lib.F to 32-bit integers for BLAS/LAPACK converting cosmo_lebedev.F to 32-bit integers for BLAS/LAPACK converting cosmo_thomson.F to 32-bit integers for BLAS/LAPACK converting grad_hnd_cos.F to 32-bit integers for BLAS/LAPACK converting hnd_coschg.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/solvation' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined Making 32_to_64 in nwpwlib make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib' Making 32_to_64 in Parallel make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/Parallel' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 Parallel-mpi.F Parallel.F converting Parallel-mpi.F to 32-bit integers for BLAS/LAPACK converting Parallel.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/Parallel' Making 32_to_64 in D1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/D1dB' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 D1dB-mpi.F D1dBs-mpi.F Dne.F skew.F Dne_omp.F Dnex.F converting D1dB-mpi.F to 32-bit integers for BLAS/LAPACK converting D1dBs-mpi.F to 32-bit integers for BLAS/LAPACK converting Dne.F to 32-bit integers for BLAS/LAPACK converting skew.F to 32-bit integers for BLAS/LAPACK converting Dne_omp.F to 32-bit integers for BLAS/LAPACK converting Dnex.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/D1dB' Making 32_to_64 in D3dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/D3dB' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 D3dB-new.F D3dB_pfft.F D3dB-mpi.F D3dB-tcgmsg.F D3dBs-new.F D3dBs_pfft.F D3dBs-mpi.F converting D3dB-new.F to 32-bit integers for BLAS/LAPACK converting D3dB_pfft.F to 32-bit integers for BLAS/LAPACK converting D3dB-mpi.F to 32-bit integers for BLAS/LAPACK converting D3dB-tcgmsg.F to 32-bit integers for BLAS/LAPACK converting D3dBs-new.F to 32-bit integers for BLAS/LAPACK converting D3dBs_pfft.F to 32-bit integers for BLAS/LAPACK converting D3dBs-mpi.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/D3dB' Making 32_to_64 in Pneb make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/Pneb' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 Pneb.F converting Pneb.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/Pneb' Making 32_to_64 in K1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/K1dB' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 K1dB-mpi.F converting K1dB-mpi.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/K1dB' Making 32_to_64 in C1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/C1dB' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 C1dB-mpi.F converting C1dB-mpi.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/C1dB' Making 32_to_64 in C3dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/C3dB' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 C3dB-new.F C3dB_pfft.F C3dB-tcgmsg.F C3dB-mpi.F converting C3dB-new.F to 32-bit integers for BLAS/LAPACK converting C3dB_pfft.F to 32-bit integers for BLAS/LAPACK converting C3dB-tcgmsg.F to 32-bit integers for BLAS/LAPACK converting C3dB-mpi.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/C3dB' Making 32_to_64 in DMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/DMatrix' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 DMatrix-mpi.F DMatrix.F DMatrix-tcgmsg.F converting DMatrix-mpi.F to 32-bit integers for BLAS/LAPACK converting DMatrix.F to 32-bit integers for BLAS/LAPACK converting DMatrix-tcgmsg.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/DMatrix' Making 32_to_64 in CMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/CMatrix' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 CMatrix.F CMatrix-tcgmsg.F CMatrix-mpi.F converting CMatrix.F to 32-bit integers for BLAS/LAPACK converting CMatrix-tcgmsg.F to 32-bit integers for BLAS/LAPACK converting CMatrix-mpi.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/CMatrix' Making 32_to_64 in TMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/TMatrix' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 dgemm_omp.F sgemm_omp.F ffm_multiply_omp_group.F zgemm_omp.F ffw_multiply_omp_group.F converting dgemm_omp.F to 32-bit integers for BLAS/LAPACK converting sgemm_omp.F to 32-bit integers for BLAS/LAPACK converting ffm_multiply_omp_group.F to 32-bit integers for BLAS/LAPACK converting zgemm_omp.F to 32-bit integers for BLAS/LAPACK converting ffw_multiply_omp_group.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/TMatrix' Making 32_to_64 in control make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/control' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 control.F converting control.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/control' Making 32_to_64 in lattice make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/lattice' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 lattice.f pack.F G_init.F cram.F c_G_init.F converting lattice.f to 32-bit integers for BLAS/LAPACK converting pack.F to 32-bit integers for BLAS/LAPACK converting G_init.F to 32-bit integers for BLAS/LAPACK converting cram.F to 32-bit integers for BLAS/LAPACK converting c_G_init.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/lattice' Making 32_to_64 in io make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/io' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/io' Making 32_to_64 in ion make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ion' Making 32_to_64 in shake make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ion/shake' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 molecular.F converting molecular.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ion/shake' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 ion.F fcoord.f incell1.f incell2.f incell3.f unfold.f seperate_molpsp.F seperate_pointcharge.F ion_FixIon.F ion_scaling_atoms.F converting ion.F to 32-bit integers for BLAS/LAPACK converting fcoord.f to 32-bit integers for BLAS/LAPACK converting incell1.f to 32-bit integers for BLAS/LAPACK converting incell2.f to 32-bit integers for BLAS/LAPACK converting incell3.f to 32-bit integers for BLAS/LAPACK converting unfold.f to 32-bit integers for BLAS/LAPACK converting seperate_molpsp.F to 32-bit integers for BLAS/LAPACK converting seperate_pointcharge.F to 32-bit integers for BLAS/LAPACK converting ion_FixIon.F to 32-bit integers for BLAS/LAPACK converting ion_scaling_atoms.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ion' Making 32_to_64 in pseudopotential make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/pseudopotential' Making 32_to_64 in paw_atom make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/pseudopotential/paw_atom' 32_to_64 : no conversion necessary make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/pseudopotential/paw_atom' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/pseudopotential' Making 32_to_64 in utilities make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/utilities' Making 32_to_64 in paw_utilities make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/utilities/paw_utilities' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 nwpw_gaunt.F nwpw_compcharge.F nwpw_xc.F nwpw_gintegrals.F nwpw_gintegrals2.F nwpw_gintegrals3.F converting nwpw_gaunt.F to 32-bit integers for BLAS/LAPACK converting nwpw_compcharge.F to 32-bit integers for BLAS/LAPACK converting nwpw_xc.F to 32-bit integers for BLAS/LAPACK converting nwpw_gintegrals.F to 32-bit integers for BLAS/LAPACK converting nwpw_gintegrals2.F to 32-bit integers for BLAS/LAPACK converting nwpw_gintegrals3.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/utilities/paw_utilities' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 auto_corr.F matrix.f nwpw_scf_mixing.F kerker_G.F cell.F cellgeometry.F nwpw_list.F cpsi_data.F psi_data.F nwpw_diis.F nwpw_kain.F nwpw_matrix_invert.F generate_unfolded_xyz.F nwpw_fftpack3d.F nwpw_kbpp_ray.F paw_utilities/nwpw_compcharge2.F task_paulsmatrix.F converting auto_corr.F to 32-bit integers for BLAS/LAPACK converting matrix.f to 32-bit integers for BLAS/LAPACK converting nwpw_scf_mixing.F to 32-bit integers for BLAS/LAPACK converting kerker_G.F to 32-bit integers for BLAS/LAPACK converting cell.F to 32-bit integers for BLAS/LAPACK converting cellgeometry.F to 32-bit integers for BLAS/LAPACK converting nwpw_list.F to 32-bit integers for BLAS/LAPACK converting cpsi_data.F to 32-bit integers for BLAS/LAPACK converting psi_data.F to 32-bit integers for BLAS/LAPACK converting nwpw_diis.F to 32-bit integers for BLAS/LAPACK converting nwpw_kain.F to 32-bit integers for BLAS/LAPACK converting nwpw_matrix_invert.F to 32-bit integers for BLAS/LAPACK converting generate_unfolded_xyz.F to 32-bit integers for BLAS/LAPACK converting nwpw_fftpack3d.F to 32-bit integers for BLAS/LAPACK converting nwpw_kbpp_ray.F to 32-bit integers for BLAS/LAPACK converting paw_utilities/nwpw_compcharge2.F to 32-bit integers for BLAS/LAPACK converting task_paulsmatrix.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/utilities' Making 32_to_64 in unitcell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/unitcell' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/unitcell' Making 32_to_64 in brillouin_zone make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/brillouin_zone' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/brillouin_zone' Making 32_to_64 in fractional make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/fractional' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 fractional.F frac_occ.F converting fractional.F to 32-bit integers for BLAS/LAPACK converting frac_occ.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/fractional' Making 32_to_64 in linesearch make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/linesearch' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/linesearch' Making 32_to_64 in timing make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/timing' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 nwpw_timing.F converting nwpw_timing.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/timing' Making 32_to_64 in ewald make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ewald' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 ewald.F ewald_strfac.F converting ewald.F to 32-bit integers for BLAS/LAPACK converting ewald_strfac.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/ewald' Making 32_to_64 in thermostats make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/thermostats' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 nose-hoover.F converting nose-hoover.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/thermostats' Making 32_to_64 in MetaDynamics make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/MetaDynamics' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 metadynamics.F converting metadynamics.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/MetaDynamics' Making 32_to_64 in TAMD make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/TAMD' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 tamd.F converting tamd.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/TAMD' Making 32_to_64 in FMM make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/FMM' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 fmm.F converting fmm.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/FMM' Making 32_to_64 in md_xs make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/md_xs' Making 32_to_64 in FEFF6L make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/md_xs/FEFF6L' 32_to_64 : no conversion necessary make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/md_xs/FEFF6L' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 md_xs.F converting md_xs.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/md_xs' Making 32_to_64 in nwpwxc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/nwpwxc' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 nwpwxc_vdw3c.F nwpwxc_eval.F nwpwxc_c_vwn_a.fh nwpwxc_vdw3a.F converting nwpwxc_vdw3c.F to 32-bit integers for BLAS/LAPACK converting nwpwxc_eval.F to 32-bit integers for BLAS/LAPACK converting nwpwxc_c_vwn_a.fh to 32-bit integers for BLAS/LAPACK converting nwpwxc_vdw3a.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib/nwpwxc' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/nwpwlib' Making 32_to_64 in libraryps make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/libraryps' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/libraryps' Making 32_to_64 in pspw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw' Making 32_to_64 in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib' Making 32_to_64 in psi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/psi' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 psi.F geodesic.F geodesic2.F Grassman.F dipole.F psi_history.F skew.F geodesic1.F berry_phase_pol.F psi_dmatrix.F rho_symmetrizer.F polarizability.F dipole.F dipole_efield.F converting psi.F to 32-bit integers for BLAS/LAPACK converting geodesic.F to 32-bit integers for BLAS/LAPACK converting geodesic2.F to 32-bit integers for BLAS/LAPACK converting Grassman.F to 32-bit integers for BLAS/LAPACK converting dipole.F to 32-bit integers for BLAS/LAPACK converting psi_history.F to 32-bit integers for BLAS/LAPACK converting skew.F to 32-bit integers for BLAS/LAPACK converting geodesic1.F to 32-bit integers for BLAS/LAPACK converting berry_phase_pol.F to 32-bit integers for BLAS/LAPACK converting psi_dmatrix.F to 32-bit integers for BLAS/LAPACK converting rho_symmetrizer.F to 32-bit integers for BLAS/LAPACK converting polarizability.F to 32-bit integers for BLAS/LAPACK converting dipole.F to 32-bit integers for BLAS/LAPACK converting dipole_efield.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/psi' Making 32_to_64 in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/electron' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 electron.F psi_H.F psi_Hv4.F converting electron.F to 32-bit integers for BLAS/LAPACK converting psi_H.F to 32-bit integers for BLAS/LAPACK converting psi_Hv4.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/electron' Making 32_to_64 in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/ke' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 ke.F converting ke.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/ke' Making 32_to_64 in coulomb make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/coulomb' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 coulomb.F coulomb2.F coulomb_screened.F coulomb_screened_small.F converting coulomb.F to 32-bit integers for BLAS/LAPACK converting coulomb2.F to 32-bit integers for BLAS/LAPACK converting coulomb_screened.F to 32-bit integers for BLAS/LAPACK converting coulomb_screened_small.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/coulomb' Making 32_to_64 in exchange-correlation make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/exchange-correlation' Making 32_to_64 in vdw-DF make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 vdw-DF.F vdw_DF_kernel.F converting vdw-DF.F to 32-bit integers for BLAS/LAPACK converting vdw_DF_kernel.F to 32-bit integers for BLAS/LAPACK make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 v_bwexc_euv.F v_bwexc.F nwpw_meta_gga.F v_mexc.F converting v_bwexc_euv.F to 32-bit integers for BLAS/LAPACK converting v_bwexc.F to 32-bit integers for BLAS/LAPACK converting nwpw_meta_gga.F to 32-bit integers for BLAS/LAPACK converting v_mexc.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/exchange-correlation' Making 32_to_64 in sic make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/sic' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 pspw_sic.F converting pspw_sic.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/sic' Making 32_to_64 in hfx make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/hfx' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 pspw_hfx.F pspw_shfx.F pspw_hfx_localized.F converting pspw_hfx.F to 32-bit integers for BLAS/LAPACK converting pspw_shfx.F to 32-bit integers for BLAS/LAPACK converting pspw_hfx_localized.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/hfx' Making 32_to_64 in ion make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/ion' 32_to_64 : no conversion necessary make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/ion' Making 32_to_64 in psp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/psp' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 psp.F psp_olddebug.F paw.F semicore.F semicore_force.F psp_stress.F semicore_force_a.F semicore_force_b.F psp_U.F psp_ld.F converting psp.F to 32-bit integers for BLAS/LAPACK converting psp_olddebug.F to 32-bit integers for BLAS/LAPACK converting paw.F to 32-bit integers for BLAS/LAPACK converting semicore.F to 32-bit integers for BLAS/LAPACK converting semicore_force.F to 32-bit integers for BLAS/LAPACK converting psp_stress.F to 32-bit integers for BLAS/LAPACK converting semicore_force_a.F to 32-bit integers for BLAS/LAPACK converting semicore_force_b.F to 32-bit integers for BLAS/LAPACK converting psp_U.F to 32-bit integers for BLAS/LAPACK converting psp_ld.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/psp' Making 32_to_64 in Grsm_list make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/Grsm_list' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 pspw_lmbfgs.F pspw_lmbfgs2.F pspw_diis.F pspw_Grsm_list.F pspw_rmmdiis.F converting pspw_lmbfgs.F to 32-bit integers for BLAS/LAPACK converting pspw_lmbfgs2.F to 32-bit integers for BLAS/LAPACK converting pspw_diis.F to 32-bit integers for BLAS/LAPACK converting pspw_Grsm_list.F to 32-bit integers for BLAS/LAPACK converting pspw_rmmdiis.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/Grsm_list' Making 32_to_64 in aorbs make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/aorbs' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 aorbs.F converting aorbs.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/aorbs' Making 32_to_64 in truncating_function make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/truncating_function' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 truncating_function.F converting truncating_function.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib/truncating_function' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lib' Making 32_to_64 in kbpp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/kbpp' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 setup_kbpp.f integrate_kbppv3.f integrate_kbppv3d.f integrate_kbpp_orb.F integrate_stress.F integrate_d_stress.F HGH_local.F HGH_nonlocal.F Tesseral.F hghppv1.F pawppv1.F integrate_kbppv3d_new.f integrate_kbppv3_new.f integrate_d_stress_new.F integrate_pawppv1.F junk.f integrate_kbppv3_ray.f integrate_stress_new.F integrate_stress_ray.F integrate_paw_ray.F integrate_kbppv3e.f integrate_kbppv3e_new.f integrate_kbppv3e_ray.f kbppv3e_stress.F integrate_e_stress.F integrate_e_stress_new.F integrate_e_stress_ray.F kbppv3d.F converting setup_kbpp.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3d.f to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_orb.F to 32-bit integers for BLAS/LAPACK converting integrate_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_d_stress.F to 32-bit integers for BLAS/LAPACK converting HGH_local.F to 32-bit integers for BLAS/LAPACK converting HGH_nonlocal.F to 32-bit integers for BLAS/LAPACK converting Tesseral.F to 32-bit integers for BLAS/LAPACK converting hghppv1.F to 32-bit integers for BLAS/LAPACK converting pawppv1.F to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3d_new.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3_new.f to 32-bit integers for BLAS/LAPACK converting integrate_d_stress_new.F to 32-bit integers for BLAS/LAPACK converting integrate_pawppv1.F to 32-bit integers for BLAS/LAPACK converting junk.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3_ray.f to 32-bit integers for BLAS/LAPACK converting integrate_stress_new.F to 32-bit integers for BLAS/LAPACK converting integrate_stress_ray.F to 32-bit integers for BLAS/LAPACK converting integrate_paw_ray.F to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3e.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3e_new.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3e_ray.f to 32-bit integers for BLAS/LAPACK converting kbppv3e_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_e_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_e_stress_new.F to 32-bit integers for BLAS/LAPACK converting integrate_e_stress_ray.F to 32-bit integers for BLAS/LAPACK converting kbppv3d.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/kbpp' Making 32_to_64 in makepsi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/makepsi' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 wvfnc_init.F v_wvfnc_init.F wvfnc_expander.F v_wvfnc_new.F wvfnc_new.F silvestrelli_minimize.F expand_cell.F wvfnc_expand_cell.F band_reformat_c_wvfnc.F wvfnc_adjust.F silvestrelli_minimize_old.F makenodefunctions.F pspw_wannier2.F pspw_wannier.F converting wvfnc_init.F to 32-bit integers for BLAS/LAPACK converting v_wvfnc_init.F to 32-bit integers for BLAS/LAPACK converting wvfnc_expander.F to 32-bit integers for BLAS/LAPACK converting v_wvfnc_new.F to 32-bit integers for BLAS/LAPACK converting wvfnc_new.F to 32-bit integers for BLAS/LAPACK converting silvestrelli_minimize.F to 32-bit integers for BLAS/LAPACK converting expand_cell.F to 32-bit integers for BLAS/LAPACK converting wvfnc_expand_cell.F to 32-bit integers for BLAS/LAPACK converting band_reformat_c_wvfnc.F to 32-bit integers for BLAS/LAPACK converting wvfnc_adjust.F to 32-bit integers for BLAS/LAPACK converting silvestrelli_minimize_old.F to 32-bit integers for BLAS/LAPACK converting makenodefunctions.F to 32-bit integers for BLAS/LAPACK converting pspw_wannier2.F to 32-bit integers for BLAS/LAPACK converting pspw_wannier.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/makepsi' Making 32_to_64 in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cpsd' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 psi_lmbda.f psi_lmbda2.f psi_lmbda3.f psi_lmbda_sic.f psi_lmbda_paw.f inner_loop.F inner_loop_md.F cpsdv5.F cpmdv5.F psi_lmbda2.f psi_lmbda_omp.F mmsdv1.F inner_loop_qmmm_step.F cpmd_qmmm_start.F cpmd_qmmm_stop.F mm_loop.F pspw_et.F cprmdv1.F inner_loop_cprmd.F runsocket.F converting psi_lmbda.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda2.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda3.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda_sic.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda_paw.f to 32-bit integers for BLAS/LAPACK converting inner_loop.F to 32-bit integers for BLAS/LAPACK converting inner_loop_md.F to 32-bit integers for BLAS/LAPACK converting cpsdv5.F to 32-bit integers for BLAS/LAPACK converting cpmdv5.F to 32-bit integers for BLAS/LAPACK converting psi_lmbda2.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda_omp.F to 32-bit integers for BLAS/LAPACK converting mmsdv1.F to 32-bit integers for BLAS/LAPACK converting inner_loop_qmmm_step.F to 32-bit integers for BLAS/LAPACK converting cpmd_qmmm_start.F to 32-bit integers for BLAS/LAPACK converting cpmd_qmmm_stop.F to 32-bit integers for BLAS/LAPACK converting mm_loop.F to 32-bit integers for BLAS/LAPACK converting pspw_et.F to 32-bit integers for BLAS/LAPACK converting cprmdv1.F to 32-bit integers for BLAS/LAPACK converting inner_loop_cprmd.F to 32-bit integers for BLAS/LAPACK converting runsocket.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cpsd' Making 32_to_64 in cgsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cgsd' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 cgsdv5.F cgmdv5.F cgmontecarlov1.F cgoptimize1.F cgsd_energy.F bybminimize.F bybminimize2.F pspw_bq_gradient.F cgminimize.F mmmdv1.F bfgsminimize2.F bfgsminimize3.F md_energy.F cgminimize2.F cgminimizeABC.F cgsd_noit_energy.F bfgsminimize.F bfgsminimizeABC.F converting cgsdv5.F to 32-bit integers for BLAS/LAPACK converting cgmdv5.F to 32-bit integers for BLAS/LAPACK converting cgmontecarlov1.F to 32-bit integers for BLAS/LAPACK converting cgoptimize1.F to 32-bit integers for BLAS/LAPACK converting cgsd_energy.F to 32-bit integers for BLAS/LAPACK converting bybminimize.F to 32-bit integers for BLAS/LAPACK converting bybminimize2.F to 32-bit integers for BLAS/LAPACK converting pspw_bq_gradient.F to 32-bit integers for BLAS/LAPACK converting cgminimize.F to 32-bit integers for BLAS/LAPACK converting mmmdv1.F to 32-bit integers for BLAS/LAPACK converting bfgsminimize2.F to 32-bit integers for BLAS/LAPACK converting bfgsminimize3.F to 32-bit integers for BLAS/LAPACK converting md_energy.F to 32-bit integers for BLAS/LAPACK converting cgminimize2.F to 32-bit integers for BLAS/LAPACK converting cgminimizeABC.F to 32-bit integers for BLAS/LAPACK converting cgsd_noit_energy.F to 32-bit integers for BLAS/LAPACK converting bfgsminimize.F to 32-bit integers for BLAS/LAPACK converting bfgsminimizeABC.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cgsd' Making 32_to_64 in analysis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/analysis' Making 32_to_64 in APC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/analysis/APC' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 pspw_APC.F pspw_atom_Efield.F pspw_atom_Efield_grad.F converting pspw_APC.F to 32-bit integers for BLAS/LAPACK converting pspw_atom_Efield.F to 32-bit integers for BLAS/LAPACK converting pspw_atom_Efield_grad.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/analysis/APC' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 pspw_Lubin_water_analysis.F pspw_atom_analysis.F analysis.F orb_pop_kawai.F orb_pop_aorb.F converting pspw_Lubin_water_analysis.F to 32-bit integers for BLAS/LAPACK converting pspw_atom_analysis.F to 32-bit integers for BLAS/LAPACK converting analysis.F to 32-bit integers for BLAS/LAPACK converting orb_pop_kawai.F to 32-bit integers for BLAS/LAPACK converting orb_pop_aorb.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/analysis' Making 32_to_64 in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cell_optimize' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 update_unitcell.F stress_fd.F force_fd.F converting update_unitcell.F to 32-bit integers for BLAS/LAPACK converting stress_fd.F to 32-bit integers for BLAS/LAPACK converting force_fd.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/cell_optimize' Making 32_to_64 in qmmm make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm' Making 32_to_64 in pspw_LJ make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_LJ' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 pspw_LJ.F converting pspw_LJ.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_LJ' Making 32_to_64 in pspw_Q make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_Q' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 pspw_Q.F converting pspw_Q.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_Q' Making 32_to_64 in pspw_Pair make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_Pair' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 pspw_Pair.F converting pspw_Pair.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/pspw_Pair' Making 32_to_64 in mmq make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/mmq' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 mmq.F converting mmq.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm/mmq' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 pspw_qmmm.F converting pspw_qmmm.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/qmmm' Making 32_to_64 in charge make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/charge' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 pspw_charge.F pspw_efield.F pspw_cosmo.F converting pspw_charge.F to 32-bit integers for BLAS/LAPACK converting pspw_efield.F to 32-bit integers for BLAS/LAPACK converting pspw_cosmo.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/charge' Making 32_to_64 in dplot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/dplot' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 pspw_dplot.F ELF.F converting pspw_dplot.F to 32-bit integers for BLAS/LAPACK converting ELF.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/dplot' Making 32_to_64 in lcao make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lcao' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 lcao_diis_dn.F lcao_init_dn.F lcao_new_dn.F lcao_new_mix_dn.F lcao_generate_vhxcmatrix.F lcao_diis.F lcaov1.F wvfnc_new_lcao_density.F converting lcao_diis_dn.F to 32-bit integers for BLAS/LAPACK converting lcao_init_dn.F to 32-bit integers for BLAS/LAPACK converting lcao_new_dn.F to 32-bit integers for BLAS/LAPACK converting lcao_new_mix_dn.F to 32-bit integers for BLAS/LAPACK converting lcao_generate_vhxcmatrix.F to 32-bit integers for BLAS/LAPACK converting lcao_diis.F to 32-bit integers for BLAS/LAPACK converting lcaov1.F to 32-bit integers for BLAS/LAPACK converting wvfnc_new_lcao_density.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw/lcao' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/pspw' Making 32_to_64 in paw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw' Making 32_to_64 in paw_geometry make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_geometry' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_geometry' Making 32_to_64 in paw_ma make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ma' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ma' Making 32_to_64 in paw_utils make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_utils' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 integrate.F converting integrate.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_utils' Making 32_to_64 in paw_basis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_basis' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_basis' Making 32_to_64 in paw_proj make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_proj' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 paw_proj.F converting paw_proj.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_proj' Making 32_to_64 in paw_matrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_matrix' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_matrix' Making 32_to_64 in paw_ovlp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ovlp' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 paw_overlap_matrix.F paw_ovlp.F converting paw_overlap_matrix.F to 32-bit integers for BLAS/LAPACK converting paw_ovlp.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ovlp' Making 32_to_64 in paw_comp_charge make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_comp_charge' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_comp_charge' Making 32_to_64 in paw_special_functions make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_special_functions' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_special_functions' Making 32_to_64 in paw_gaunt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_gaunt' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_gaunt' Making 32_to_64 in paw_kinetic make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_kinetic' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_kinetic' Making 32_to_64 in paw_vloc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_vloc' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 paw_vloc.F converting paw_vloc.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_vloc' Making 32_to_64 in paw_ion_potential make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ion_potential' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_ion_potential' Making 32_to_64 in paw_core make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_core' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_core' Making 32_to_64 in paw_hartree make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_hartree' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 paw_pot_hartree.F paw_matrix_hartree.F converting paw_pot_hartree.F to 32-bit integers for BLAS/LAPACK converting paw_matrix_hartree.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_hartree' Making 32_to_64 in paw_comp_pot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_comp_pot' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_comp_pot' Making 32_to_64 in paw_mult make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_mult' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 paw_mult.F paw_mult_interaction.F paw_mult_energy.F converting paw_mult.F to 32-bit integers for BLAS/LAPACK converting paw_mult_interaction.F to 32-bit integers for BLAS/LAPACK converting paw_mult_energy.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_mult' Making 32_to_64 in paw_nonlocal make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_nonlocal' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 paw_nonlocal.F converting paw_nonlocal.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_nonlocal' Making 32_to_64 in paw_density make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_density' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 paw_density.F converting paw_density.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_density' Making 32_to_64 in paw_xc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_xc' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 paw_xc.F converting paw_xc.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_xc' Making 32_to_64 in paw_force make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_force' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 paw_force.F converting paw_force.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_force' Making 32_to_64 in paw_Grsm_list make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_Grsm_list' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 paw_Grsm_list.F paw_lmbfgs.F converting paw_Grsm_list.F to 32-bit integers for BLAS/LAPACK converting paw_lmbfgs.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_Grsm_list' Making 32_to_64 in paw_psi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_psi' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 paw_psi.F paw_geodesic.F paw_electron.F paw_psi2.F converting paw_psi.F to 32-bit integers for BLAS/LAPACK converting paw_geodesic.F to 32-bit integers for BLAS/LAPACK converting paw_electron.F to 32-bit integers for BLAS/LAPACK converting paw_psi2.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/paw_psi' Making 32_to_64 in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cpsd' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 paw_sd.F paw_inner_loop.F paw_cpmd.F paw_inner_loop_md.F converting paw_sd.F to 32-bit integers for BLAS/LAPACK converting paw_inner_loop.F to 32-bit integers for BLAS/LAPACK converting paw_cpmd.F to 32-bit integers for BLAS/LAPACK converting paw_inner_loop_md.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cpsd' Making 32_to_64 in cgsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cgsd' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 paw_bfgsminimize.F paw_minimizer.F paw_cgsd_energy.F paw_cgminimize.F converting paw_bfgsminimize.F to 32-bit integers for BLAS/LAPACK converting paw_minimizer.F to 32-bit integers for BLAS/LAPACK converting paw_cgsd_energy.F to 32-bit integers for BLAS/LAPACK converting paw_cgminimize.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cgsd' Making 32_to_64 in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cell_optimize' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 paw_stress_fd.F paw_update_unitcell.F converting paw_stress_fd.F to 32-bit integers for BLAS/LAPACK converting paw_update_unitcell.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw/cell_optimize' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/paw' Making 32_to_64 in band make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band' Making 32_to_64 in minimizer make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/minimizer' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 band_minimizer.F c_cgsd_energy.F c_cgsd_energy_gradient.F c_bybminimize.F c_bybminimize2.F c_cgsd_energy_stress.F converting band_minimizer.F to 32-bit integers for BLAS/LAPACK converting c_cgsd_energy.F to 32-bit integers for BLAS/LAPACK converting c_cgsd_energy_gradient.F to 32-bit integers for BLAS/LAPACK converting c_bybminimize.F to 32-bit integers for BLAS/LAPACK converting c_bybminimize2.F to 32-bit integers for BLAS/LAPACK converting c_cgsd_energy_stress.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/minimizer' Making 32_to_64 in structure make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/structure' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 band_structure.F band_interpolate_structure.F band_kp_structure.F band_fft_structure.F converting band_structure.F to 32-bit integers for BLAS/LAPACK converting band_interpolate_structure.F to 32-bit integers for BLAS/LAPACK converting band_kp_structure.F to 32-bit integers for BLAS/LAPACK converting band_fft_structure.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/structure' Making 32_to_64 in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/cpsd' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 band_sd.F band_cpmd.F band_inner_loop.F band_inner_loop_md.F converting band_sd.F to 32-bit integers for BLAS/LAPACK converting band_cpmd.F to 32-bit integers for BLAS/LAPACK converting band_inner_loop.F to 32-bit integers for BLAS/LAPACK converting band_inner_loop_md.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/cpsd' Making 32_to_64 in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/cell_optimize' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 band_stress_fd.F band_update_unitcell.F converting band_stress_fd.F to 32-bit integers for BLAS/LAPACK converting band_update_unitcell.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/cell_optimize' Making 32_to_64 in kbpp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/kbpp' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 kbpp_band.F kbpp_band_orb.F setup_kbpp_band.f integrate_kbpp_band_local.F integrate_kbpp_band_nonlocal.F integrate_kbpp_band_orb.F kbpp_band_stress.F integrate_kbpp_band_stress_local.F integrate_kbpp_band_stress_nonlocal.F HGH_band_local.F HGH_band_nonlocal.F Tesseral_band.F Spherical_band.F hghpp_band.F integrate_kbpp_band_ray.F integrate_kbpp_band_stress_ray.F rkbpp_band.F integrate_kbpp_band_local_new.F integrate_kbpp_e_band_local_new.F integrate_kbpp_band_stress_local_new.F integrate_kbpp_band_nonlocal_new.F integrate_kbpp_band_stress_nonlocal_new.F kbpp_e_band.F integrate_kbpp_e_band_nonlocal.F integrate_kbpp_e_band_nonlocal_new.F integrate_kbpp_e_band_local.F integrate_kbpp_e_band_ray.F kbpp_e_band_stress.F integrate_kbpp_e_band_stress_local.F integrate_kbpp_e_band_stress_local_new.F integrate_kbpp_e_band_stress_ray.F integrate_kbpp_e_band_stress_nonlocal.F integrate_kbpp_e_band_stress_nonlocal_new.F converting kbpp_band.F to 32-bit integers for BLAS/LAPACK converting kbpp_band_orb.F to 32-bit integers for BLAS/LAPACK converting setup_kbpp_band.f to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_local.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_nonlocal.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_orb.F to 32-bit integers for BLAS/LAPACK converting kbpp_band_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_local.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_nonlocal.F to 32-bit integers for BLAS/LAPACK converting HGH_band_local.F to 32-bit integers for BLAS/LAPACK converting HGH_band_nonlocal.F to 32-bit integers for BLAS/LAPACK converting Tesseral_band.F to 32-bit integers for BLAS/LAPACK converting Spherical_band.F to 32-bit integers for BLAS/LAPACK converting hghpp_band.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_ray.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_ray.F to 32-bit integers for BLAS/LAPACK converting rkbpp_band.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_local_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_local_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_local_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_nonlocal_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_nonlocal_new.F to 32-bit integers for BLAS/LAPACK converting kbpp_e_band.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_nonlocal.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_nonlocal_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_local.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_ray.F to 32-bit integers for BLAS/LAPACK converting kbpp_e_band_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_local.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_local_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_ray.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_nonlocal.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_nonlocal_new.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/kbpp' Making 32_to_64 in makepsi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/makepsi' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 pspw_reformat_c_wvfnc.F c_wvfnc_new.F c_wvfnc_expander.F c_v_wvfnc_new.F c_wvfnc_adjust.F converting pspw_reformat_c_wvfnc.F to 32-bit integers for BLAS/LAPACK converting c_wvfnc_new.F to 32-bit integers for BLAS/LAPACK converting c_wvfnc_expander.F to 32-bit integers for BLAS/LAPACK converting c_v_wvfnc_new.F to 32-bit integers for BLAS/LAPACK converting c_wvfnc_adjust.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/makepsi' Making 32_to_64 in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib' Making 32_to_64 in cpsp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/cpsp' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 cpsp.F cpsp_stress.F c_semicore.F cpsp_projector.F c_semicore_force_a.F c_semicore_force_b.F cpsp_relativistic.F cpsp_U.F converting cpsp.F to 32-bit integers for BLAS/LAPACK converting cpsp_stress.F to 32-bit integers for BLAS/LAPACK converting c_semicore.F to 32-bit integers for BLAS/LAPACK converting cpsp_projector.F to 32-bit integers for BLAS/LAPACK converting c_semicore_force_a.F to 32-bit integers for BLAS/LAPACK converting c_semicore_force_b.F to 32-bit integers for BLAS/LAPACK converting cpsp_relativistic.F to 32-bit integers for BLAS/LAPACK converting cpsp_U.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/cpsp' Making 32_to_64 in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/ke' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 cke.F converting cke.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/ke' Making 32_to_64 in coulomb make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/coulomb' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 c_coulomb.F c_coulomb_screened.F converting c_coulomb.F to 32-bit integers for BLAS/LAPACK converting c_coulomb_screened.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/coulomb' Making 32_to_64 in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/electron' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 c_electron.F psi_lmbda.f cpsi_H.F converting c_electron.F to 32-bit integers for BLAS/LAPACK converting psi_lmbda.f to 32-bit integers for BLAS/LAPACK converting cpsi_H.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/electron' Making 32_to_64 in psi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/psi' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 cpsi.F c_geodesic.F c_geodesic2.F cpsi_lmbda.F cpsi_lmbda2.F BGrsm.F cpsi_KS.F cpsi_read.F cpsi_write.F v_cpsi_read.F v_cpsi_write.F c_rho_symmetrizer.F converting cpsi.F to 32-bit integers for BLAS/LAPACK converting c_geodesic.F to 32-bit integers for BLAS/LAPACK converting c_geodesic2.F to 32-bit integers for BLAS/LAPACK converting cpsi_lmbda.F to 32-bit integers for BLAS/LAPACK converting cpsi_lmbda2.F to 32-bit integers for BLAS/LAPACK converting BGrsm.F to 32-bit integers for BLAS/LAPACK converting cpsi_KS.F to 32-bit integers for BLAS/LAPACK converting cpsi_read.F to 32-bit integers for BLAS/LAPACK converting cpsi_write.F to 32-bit integers for BLAS/LAPACK converting v_cpsi_read.F to 32-bit integers for BLAS/LAPACK converting v_cpsi_write.F to 32-bit integers for BLAS/LAPACK converting c_rho_symmetrizer.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/psi' Making 32_to_64 in hfx make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/hfx' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 band_hfx.F converting band_hfx.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/hfx' Making 32_to_64 in Grsm_list make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/Grsm_list' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 band_Grsm_list.F band_lmbfgs.F converting band_Grsm_list.F to 32-bit integers for BLAS/LAPACK converting band_lmbfgs.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/Grsm_list' Making 32_to_64 in borbs make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/borbs' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 borbs.F borb_projector.F converting borbs.F to 32-bit integers for BLAS/LAPACK converting borb_projector.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib/borbs' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/lib' Making 32_to_64 in dplot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/dplot' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 band_dplot.F converting band_dplot.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/dplot' Making 32_to_64 in analysis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/analysis' Making 32_to_64 in APC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/analysis/APC' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 band_APC.F band_atom_Efield.F converting band_APC.F to 32-bit integers for BLAS/LAPACK converting band_atom_Efield.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/analysis/APC' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 band_analysis.F orb_pop_borb.F converting band_analysis.F to 32-bit integers for BLAS/LAPACK converting orb_pop_borb.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band/analysis' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/band' Making 32_to_64 in ofpw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw' Making 32_to_64 in minimizer make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/minimizer' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 ofpw_minimizer.F ofpw_cgsd_energy.F ofpw_cgminimize.F converting ofpw_minimizer.F to 32-bit integers for BLAS/LAPACK converting ofpw_cgsd_energy.F to 32-bit integers for BLAS/LAPACK converting ofpw_cgminimize.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/minimizer' Making 32_to_64 in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/cpsd' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 ofpwsd.F inner_loop_ofpw.F chi_lmbda.f converting ofpwsd.F to 32-bit integers for BLAS/LAPACK converting inner_loop_ofpw.F to 32-bit integers for BLAS/LAPACK converting chi_lmbda.f to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/cpsd' Making 32_to_64 in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib' Making 32_to_64 in chi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/chi' 32_to_64 : no conversion necessary make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/chi' Making 32_to_64 in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/electron' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 chi_H.F chi_Hv4.F converting chi_H.F to 32-bit integers for BLAS/LAPACK converting chi_Hv4.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/electron' Making 32_to_64 in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/ke' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 v_thomasfermi.F converting v_thomasfermi.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/ke' Making 32_to_64 in WGC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/WGC' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 wgc.F converting wgc.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib/WGC' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw/lib' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw/ofpw' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwpw' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft' Making 32_to_64 in pfft1.0 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfft1.0' Making 32_to_64 in fftpack make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfft1.0/fftpack' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfft1.0/fftpack' Making 32_to_64 in pfft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfft1.0/pfft' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 drain.F fillup.F converting drain.F to 32-bit integers for BLAS/LAPACK converting fillup.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfft1.0/pfft' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfft1.0' Making 32_to_64 in pfftwrap make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfftwrap' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft/pfftwrap' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fft' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/python' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/python' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/analyz' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/analyz' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwmd' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/nwmd' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cafe' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cafe' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/space' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/space' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/drdy' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 nwc_gen.F nwc_s2.F nwc_s1.F converting nwc_gen.F to 32-bit integers for BLAS/LAPACK converting nwc_s2.F to 32-bit integers for BLAS/LAPACK converting nwc_s1.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/drdy' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/vscf' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 vscf.F converting vscf.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/vscf' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/qmmm' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 task_qmmm_gradient.F qmmm_lbfgsb.F mm_interface.F converting task_qmmm_gradient.F to 32-bit integers for BLAS/LAPACK converting qmmm_lbfgsb.F to 32-bit integers for BLAS/LAPACK converting mm_interface.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/qmmm' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/qmd' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 qmd_ext.F converting qmd_ext.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/qmd' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/etrans' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/etrans' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce' Making 32_to_64 in include make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/include' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/include' Making 32_to_64 in diis make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/diis' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 tce_diis.F converting tce_diis.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/diis' Making 32_to_64 in diis2 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/diis2' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 tce_diis2.F converting tce_diis2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/diis2' Making 32_to_64 in gradients make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/gradients' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 ccsd_1pdm_hh_mo.F ccsd_1pdm_pp_mo.F ccsd_1pdm_hp_mo.F ccsd_1pdm_ph_mo.F ccsd_2pdm_hhhh_mo.F ccsd_2pdm_hhhp_mo.F ccsd_2pdm_hhpp_mo.F ccsd_2pdm_hphh_mo.F ccsd_2pdm_hphp_mo.F ccsd_2pdm_hppp_mo.F ccsd_2pdm_pphh_mo.F ccsd_2pdm_pphp_mo.F ccsd_2pdm_pppp_mo.F zvec_x_a_a.F zvec_x_a_b_a.F zvec_x_a_b_b.F zvec_x_a_c_a.F zvec_x_a_c_b.F zvec_x_a_d.F zvec_x_a_e_a.F zvec_x_a_e_b.F zvec_x_a_f_a.F zvec_x_a_f_b.F zvec_x_b_a_a.F zvec_x_b_a_b.F zvec_x_b_b_a.F zvec_x_b_b_b.F zvec_x_b_c.F zvec_x_b_d_a.F zvec_x_b_d_b.F zvec_x_b_e_a.F zvec_x_b_e_b.F zvec_x_b_f.F zvec_x_c_a.F zvec_x_c_b.F ccsd_zvec.F wdm_hh_mo_a.F wdm_hh_mo_b_a_a.F wdm_hh_mo_b_a_b.F wdm_hh_mo_b_b_a.F wdm_hh_mo_b_b_b.F wdm_hh_mo_c_a.F wdm_hh_mo_c_b_a.F wdm_hh_mo_c_b_b.F wdm_hh_mo_c_c_a.F wdm_hh_mo_c_c_b.F wdm_hh_mo_c_d.F wdm_hh_mo_c_e_a.F wdm_hh_mo_c_e_b.F wdm_hh_mo_c_f_a.F wdm_hh_mo_c_f_b.F wdm_hh_mo_d.F wdm_hp_mo_a.F wdm_hp_mo_b_a_a.F wdm_hp_mo_b_a_b.F wdm_hp_mo_b_b_a.F wdm_hp_mo_b_b_b.F wdm_hp_mo_b_c.F wdm_hp_mo_b_d_a.F wdm_hp_mo_b_d_b.F wdm_hp_mo_b_e_a.F wdm_hp_mo_b_e_b.F wdm_hp_mo_b_f.F wdm_hp_mo_c.F wdm_pp_mo_a.F wdm_pp_mo_b_a_a.F wdm_pp_mo_b_a_b.F wdm_pp_mo_b_b_a.F wdm_pp_mo_b_b_b.F wdm_pp_mo_b_c.F wdm_pp_mo_b_d_a.F wdm_pp_mo_b_d_b.F wdm_pp_mo_b_e_a.F wdm_pp_mo_b_e_b.F wdm_pp_mo_b_f.F eomccsd_1pdm_hh_mo.F eomccsd_1pdm_pp_mo.F tce_eomccsd_1prdm.F eomccsd_2pdm_hhhh_mo.F eomccsd_2pdm_hhhp_mo.F eomccsd_2pdm_hhpp_mo.F eomccsd_2pdm_hphh_mo.F eomccsd_2pdm_hphp_mo.F eomccsd_2pdm_hppp_mo.F eomccsd_2pdm_pphh_mo.F eomccsd_2pdm_pphp_mo.F eomccsd_2pdm_pppp_mo.F eomccsd_z1.F eomccsd_z2.F eomccsd_2pdm_pphh_zvec_mo.F eomccsd_1pdm_hp_mo.F eomccsd_1pdm_ph_mo.F eomccsd_x1_grad.F eomccsd_x2_grad.F tce_eom_xdiagon_grad.F tce_cisdt_denominator.F cisdtq_2pdm_hhhh_mo.F cisdtq_2pdm_hphp_mo.F cisdtq_2pdm_hppp_mo.F cisdtq_2pdm_pphp_mo.F cisdtq_2pdm_pppp_mo.F mp4_1pdm_pp_mo_III_b.F tce_cis_denominator.F cisd_1pdm_hh_mo.F ccsdt_2pdm_hphh_mo.F ccsdt_2pdm_hhhp_mo.F mp3_1pdm_hh_mo.F ccsdt_2pdm_pphh_mo.F tce_cisdtq_denominator.F tce_mp4_t24.F cis_x1.F cisd_2pdm_hhhh_mo.F mp4_1pdm_hh_mo_II.F cisd_2pdm_hphp_mo.F cisdtq_1pdm_hh_mo.F cisd_2pdm_hppp_mo.F cisd_2pdm_pphp_mo.F cis_1pdm_pp_mo.F cisd_2pdm_pppp_mo.F ccsdt_1pdm_pp_mo.F cisdt_1pdm_pp_mo.F mp4_2pdm_hphh_mo.F mp2_1pdm_hh_mo.F mp4_2pdm_pphh_mo.F ccsdtq_2pdm_hphh_mo.F ccsdtq_2pdm_hhhp_mo.F cis_2pdm_hphp_mo.F tce_cisd_denominator.F ccsdtq_2pdm_pphh_mo.F cisdt_2pdm_hhhh_mo.F mp4_1pdm_hh_mo_III_a.F ccsdtq_1pdm_pp_mo.F cisdt_2pdm_hphp_mo.F btrans1.F cisdt_2pdm_hppp_mo.F cisdt_2pdm_pphp_mo.F cisdt_2pdm_pppp_mo.F cisdtq_2pdm_hphh_mo.F cisdtq_2pdm_hhhp_mo.F wdm_hp_mo_b_d_a.F cisdtq_2pdm_pphh_mo.F cisdtq_2pdm_hhpp_mo.F mp4_1pdm_hh_mo_III_b.F btrans2.F ccsdt_2pdm_hhhh_mo.F wdm_hp_mo_b_d_b.F ccsdt_2pdm_hphp_mo.F cisd_1pdm_pp_mo.F ccsdt_2pdm_hppp_mo.F ccsdt_2pdm_pphp_mo.F mp3_1pdm_pp_mo.F ccsdt_2pdm_pppp_mo.F tce_mp2_norm.F cisd_2pdm_hphh_mo.F cisd_2pdm_hhhp_mo.F cis_1pdm_hh_mo.F cisd_2pdm_pphh_mo.F cisd_2pdm_hhpp_mo.F wdm_hp_mo_b_e_a.F ccsdt_1pdm_hh_mo.F mp4_1pdm_pp_mo_II.F cisdt_1pdm_hh_mo.F cisdtq_1pdm_pp_mo.F ccsdt_1pdm_ph_mo.F mp4_2pdm_hhhh_mo.F cis_xdiagon.F mp4_2pdm_hphp_mo.F ccsdtq_2pdm_hhhh_mo.F mp4_2pdm_pphp_mo.F mp2_1pdm_pp_mo.F mp3_2pdm_hhhh_mo.F ccsdtq_1pdm_hh_mo.F mp4_2pdm_pppp_mo.F ccsdtq_2pdm_hphp_mo.F wdm_hp_mo_b_e_b.F ccsdtq_1pdm_ph_mo.F ccsdtq_2pdm_hppp_mo.F ccsdtq_2pdm_pphp_mo.F cisdt_2pdm_hphh_mo.F cisdt_2pdm_hhhp_mo.F mp3_2pdm_hphp_mo.F ccsdtq_2pdm_pppp_mo.F cisdt_2pdm_pphh_mo.F cisdt_2pdm_hhpp_mo.F mp4_1pdm_pp_mo_III_a.F mp3_2pdm_pppp_mo.F converting ccsd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_1pdm_hp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_b_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_b_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_c_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_c_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_d.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_e_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_e_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_f_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_f_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_a_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_a_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_b_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_b_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_c.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_d_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_d_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_e_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_e_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_f.F to 32-bit integers for BLAS/LAPACK converting zvec_x_c_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_c_b.F to 32-bit integers for BLAS/LAPACK converting ccsd_zvec.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_b_b_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_b_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_b_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_c_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_c_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_d.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_e_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_e_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_f_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_f_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_d.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_b_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_c.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_e_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_f.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_c.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_b_b.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_c.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_e_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_f.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting tce_eomccsd_1prdm.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_z1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_z2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_pphh_zvec_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1pdm_hp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x1_grad.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x2_grad.F to 32-bit integers for BLAS/LAPACK converting tce_eom_xdiagon_grad.F to 32-bit integers for BLAS/LAPACK converting tce_cisdt_denominator.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_pp_mo_III_b.F to 32-bit integers for BLAS/LAPACK converting tce_cis_denominator.F to 32-bit integers for BLAS/LAPACK converting cisd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting mp3_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting tce_cisdtq_denominator.F to 32-bit integers for BLAS/LAPACK converting tce_mp4_t24.F to 32-bit integers for BLAS/LAPACK converting cis_x1.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_hh_mo_II.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting cis_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting mp2_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting cis_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting tce_cisd_denominator.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_hh_mo_III_a.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting btrans1.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_hh_mo_III_b.F to 32-bit integers for BLAS/LAPACK converting btrans2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting mp3_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting tce_mp2_norm.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting cis_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_e_a.F to 32-bit integers for BLAS/LAPACK converting ccsdt_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_pp_mo_II.F to 32-bit integers for BLAS/LAPACK converting cisdt_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting cis_xdiagon.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting mp2_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting mp3_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting mp3_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_pp_mo_III_a.F to 32-bit integers for BLAS/LAPACK converting mp3_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/gradients' Making 32_to_64 in ccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 ccsd_e.F ccsd_t1.F ccsd_t2.F cc2_t1.F cc2_t2.F ccsd_1prdm_hh.F ccsd_1prdm_hp.F ccsd_1prdm_ph.F ccsd_1prdm_pp.F ccsd_1prdm.F icsd_t1.F icsd_t2.F ccsd_t2_8.F ccsd_kernels.F sd_t2_8_loops.F converting ccsd_e.F to 32-bit integers for BLAS/LAPACK converting ccsd_t1.F to 32-bit integers for BLAS/LAPACK converting ccsd_t2.F to 32-bit integers for BLAS/LAPACK converting cc2_t1.F to 32-bit integers for BLAS/LAPACK converting cc2_t2.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm_hh.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm_hp.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm_ph.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm_pp.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm.F to 32-bit integers for BLAS/LAPACK converting icsd_t1.F to 32-bit integers for BLAS/LAPACK converting icsd_t2.F to 32-bit integers for BLAS/LAPACK converting ccsd_t2_8.F to 32-bit integers for BLAS/LAPACK converting ccsd_kernels.F to 32-bit integers for BLAS/LAPACK converting sd_t2_8_loops.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd' Making 32_to_64 in ccsd_lambda make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_lambda' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 ccsd_density1.F ccsd_lambda1_1.F ccsd_lambda1_2.F ccsd_lambda2.F ccsd_lambda1_mod.F converting ccsd_density1.F to 32-bit integers for BLAS/LAPACK converting ccsd_lambda1_1.F to 32-bit integers for BLAS/LAPACK converting ccsd_lambda1_2.F to 32-bit integers for BLAS/LAPACK converting ccsd_lambda2.F to 32-bit integers for BLAS/LAPACK converting ccsd_lambda1_mod.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_lambda' Making 32_to_64 in eomccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsd' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 eomccsd_x1.F eomccsd_x2.F eomccsd_y1.F eomccsd_y2.F eomccsd_denominator.F eomccsd_density1.F cc2_x1.F cc2_x2.F eomccsd_1prdm_hh.F eomccsd_1prdm_hp.F eomccsd_1prdm_ph.F eomccsd_1prdm_pp.F eomccsd_1prdm.F eomccsd_x1_old.F eomccsd_x2_old.F eomicsd_x1.F eomicsd_x2.F converting eomccsd_x1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_y1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_y2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_denominator.F to 32-bit integers for BLAS/LAPACK converting eomccsd_density1.F to 32-bit integers for BLAS/LAPACK converting cc2_x1.F to 32-bit integers for BLAS/LAPACK converting cc2_x2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm_hh.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm_hp.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm_ph.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm_pp.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x1_old.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x2_old.F to 32-bit integers for BLAS/LAPACK converting eomicsd_x1.F to 32-bit integers for BLAS/LAPACK converting eomicsd_x2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsd' Making 32_to_64 in ccsd_t make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_t' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 ccsd_t_doubles.F ccsd_t_singles.F ccsd_t_doubles_l.F ccsd_t_singles_l.F lambda_ccsd_t_left.F ccsd2_q_left.F ccsd2_q_right.F ccsd2_t_left.F ccsdt2_q_left.F ccsdt2_q_right.F cr_ccsd_t_D.F cr_ccsd_t_E.F cr_ccsd_t_N.F lr_ccsd_tq.F cr_qcisd_t.F m2_dot_m1t1.F ccsd_t_singles_l_6dts.F ccsd_t_doubles_l_6dts.F ccsd_t.F converting ccsd_t_doubles.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_singles.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_doubles_l.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_singles_l.F to 32-bit integers for BLAS/LAPACK converting lambda_ccsd_t_left.F to 32-bit integers for BLAS/LAPACK converting ccsd2_q_left.F to 32-bit integers for BLAS/LAPACK converting ccsd2_q_right.F to 32-bit integers for BLAS/LAPACK converting ccsd2_t_left.F to 32-bit integers for BLAS/LAPACK converting ccsdt2_q_left.F to 32-bit integers for BLAS/LAPACK converting ccsdt2_q_right.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_D.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_E.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_N.F to 32-bit integers for BLAS/LAPACK converting lr_ccsd_tq.F to 32-bit integers for BLAS/LAPACK converting cr_qcisd_t.F to 32-bit integers for BLAS/LAPACK converting m2_dot_m1t1.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_singles_l_6dts.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_doubles_l_6dts.F to 32-bit integers for BLAS/LAPACK converting ccsd_t.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_t' Making 32_to_64 in cr-eomccsd_t make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cr-eomccsd_t' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 c1_c1.F c2_c2.F c2excit2.F cr_eomccsd_t_n2_1_1_2_2.F cr_eomccsd_t_n2_1_1_2.F cr_eomccsd_t_n2_1_1_3.F cr_eomccsd_t_n2_1_1.F cr_eomccsd_t_n2_1_2.F cr_eomccsd_t_n2_1_3_1.F cr_eomccsd_t_n2_1_3_2_1.F cr_eomccsd_t_n2_1_3_2.F cr_eomccsd_t_n2_1_3_3.F cr_eomccsd_t_n2_1_3.F cr_eomccsd_t_n2_1_4_1.F cr_eomccsd_t_n2_1_4.F cr_eomccsd_t_n2_1_5_1.F cr_eomccsd_t_n2_1_5.F cr_eomccsd_t_n2_1_6_1.F cr_eomccsd_t_n2_1_6.F cr_eomccsd_t_n2_1_7_2.F cr_eomccsd_t_n2_1_7.F cr_eomccsd_t_n2_1_8_2.F cr_eomccsd_t_n2_1_8.F cr_eomccsd_t_n2_1_9.F cr_eomccsd_t_n2_1.F cr_eomccsd_t_n2_2_1_2.F cr_eomccsd_t_n2_2_1_3.F cr_eomccsd_t_n2_2_1_4.F cr_eomccsd_t_n2_2_1.F cr_eomccsd_t_n2_2.F cr_eomccsd_t_n2_3_1.F cr_eomccsd_t_n2_3_2_1.F cr_eomccsd_t_n2_3_2.F cr_eomccsd_t_n2_3_3_2.F cr_eomccsd_t_n2_3_3.F cr_eomccsd_t_n2_3_4.F cr_eomccsd_t_n2_3.F cr_eomccsd_t_n2_4_1_1.F cr_eomccsd_t_n2_4_1_2_1.F cr_eomccsd_t_n2_4_1_2.F cr_eomccsd_t_n2_4_1_3_1.F cr_eomccsd_t_n2_4_1_3.F cr_eomccsd_t_n2_4_1_4.F cr_eomccsd_t_n2_4_1.F cr_eomccsd_t_n2_4_2_2_2.F cr_eomccsd_t_n2_4_2_2.F cr_eomccsd_t_n2_4_2_3.F cr_eomccsd_t_n2_4_2_4.F cr_eomccsd_t_n2_4_2.F cr_eomccsd_t_n2_4.F cr_eomccsd_t_n2_5_2_2_2.F cr_eomccsd_t_n2_5_2_2.F cr_eomccsd_t_n2_5_2_3.F cr_eomccsd_t_n2_5_2.F cr_eomccsd_t_n2_5_3_2.F cr_eomccsd_t_n2_5_3.F cr_eomccsd_t_n2_5_4_2.F cr_eomccsd_t_n2_5_4.F cr_eomccsd_t_n2_5_5_2.F cr_eomccsd_t_n2_5_5.F cr_eomccsd_t_n2_5_6.F cr_eomccsd_t_n2_5.F cr_eomccsd_t_n2_6_2.F cr_eomccsd_t_n2_6_3_2.F cr_eomccsd_t_n2_6_3.F cr_eomccsd_t_n2_6_4.F cr_eomccsd_t_n2_6.F cr_s_m3.F nr0.F q3rexpt2.F t2t12.F creomccsd_t_n2_mem.F cr_eomccsd_t.F q3rexpt2_6dts.F creomccsd_t_n2_mem_6dts.F cr_eomccsd_t_6dts.F cr_ccsd_t_N_6dts.F cr_ccsd_t_E_6dts.F cr_eomccsd_t_6dts_d4d5_parallel.F converting c1_c1.F to 32-bit integers for BLAS/LAPACK converting c2_c2.F to 32-bit integers for BLAS/LAPACK converting c2excit2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_1_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_1_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_1_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_4_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_5_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_5.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_6_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_6.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_7_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_7.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_8_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_8.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_9.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2_1_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2_1_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2_1_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_3_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_2_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_2_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_4_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_5_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_5.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_6.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6.F to 32-bit integers for BLAS/LAPACK converting cr_s_m3.F to 32-bit integers for BLAS/LAPACK converting nr0.F to 32-bit integers for BLAS/LAPACK converting q3rexpt2.F to 32-bit integers for BLAS/LAPACK converting t2t12.F to 32-bit integers for BLAS/LAPACK converting creomccsd_t_n2_mem.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t.F to 32-bit integers for BLAS/LAPACK converting q3rexpt2_6dts.F to 32-bit integers for BLAS/LAPACK converting creomccsd_t_n2_mem_6dts.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_6dts.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_N_6dts.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_E_6dts.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_6dts_d4d5_parallel.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cr-eomccsd_t' Making 32_to_64 in lrh make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lrh' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lrh' Making 32_to_64 in emb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/emb' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 c2vt1_s.F c1v.F converting c2vt1_s.F to 32-bit integers for BLAS/LAPACK converting c1v.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/emb' Making 32_to_64 in ccd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccd' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 ccd_e.F ccd_t2.F converting ccd_e.F to 32-bit integers for BLAS/LAPACK converting ccd_t2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccd' Making 32_to_64 in lccd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lccd' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 lccd_e.F lccd_t2.F converting lccd_e.F to 32-bit integers for BLAS/LAPACK converting lccd_t2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lccd' Making 32_to_64 in lccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lccsd' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 lccsd_e.F lccsd_t1.F lccsd_t2.F converting lccsd_e.F to 32-bit integers for BLAS/LAPACK converting lccsd_t1.F to 32-bit integers for BLAS/LAPACK converting lccsd_t2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/lccsd' Making 32_to_64 in qcisd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/qcisd' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 qcisd_e.F qcisd_t1.F qcisd_t2.F converting qcisd_e.F to 32-bit integers for BLAS/LAPACK converting qcisd_t1.F to 32-bit integers for BLAS/LAPACK converting qcisd_t2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/qcisd' Making 32_to_64 in cc3 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cc3' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 cc3_t3.F ccsdt1b_t3.F ccsdt2_t3.F ccsdt3_t3.F eomccsdt1_x3.F eomcc3_x3.F eomccsdt3_x3.F cc3_lambda3.F converting cc3_t3.F to 32-bit integers for BLAS/LAPACK converting ccsdt1b_t3.F to 32-bit integers for BLAS/LAPACK converting ccsdt2_t3.F to 32-bit integers for BLAS/LAPACK converting ccsdt3_t3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt1_x3.F to 32-bit integers for BLAS/LAPACK converting eomcc3_x3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt3_x3.F to 32-bit integers for BLAS/LAPACK converting cc3_lambda3.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cc3' Making 32_to_64 in mbpt1 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt1' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 mbpt1_t1.F mbpt1_t2.F converting mbpt1_t1.F to 32-bit integers for BLAS/LAPACK converting mbpt1_t2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt1' Making 32_to_64 in mbpt2 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt2' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 mbpt2_e.F mbpt2_t1.F mbpt2_t2_b.F mbpt2_t2.F mbpt2_t3.F mbpt2_t1_sd.F mbpt2_t2_sd.F mbpt2_t4.F converting mbpt2_e.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t1.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t2_b.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t2.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t3.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t1_sd.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t2_sd.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t4.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt2' Making 32_to_64 in mbpt3 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt3' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 mbpt3_e.F mbpt3_t1.F mbpt3_t2.F mbpt3_t1_sd.F mbpt3_t2_sd.F converting mbpt3_e.F to 32-bit integers for BLAS/LAPACK converting mbpt3_t1.F to 32-bit integers for BLAS/LAPACK converting mbpt3_t2.F to 32-bit integers for BLAS/LAPACK converting mbpt3_t1_sd.F to 32-bit integers for BLAS/LAPACK converting mbpt3_t2_sd.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt3' Making 32_to_64 in mbpt4 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt4' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 mbpt4_e.F converting mbpt4_e.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mbpt4' Making 32_to_64 in cis make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cis' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 cis_x1.F cis_xdiagon.F converting cis_x1.F to 32-bit integers for BLAS/LAPACK converting cis_xdiagon.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cis' Making 32_to_64 in cisd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisd' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 cisd_c1.F cisd_c2.F cisd_e.F converting cisd_c1.F to 32-bit integers for BLAS/LAPACK converting cisd_c2.F to 32-bit integers for BLAS/LAPACK converting cisd_e.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisd' Making 32_to_64 in cisdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisdt' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 cisdt_c1.F cisdt_c2.F cisdt_c3.F cisdt_e.F converting cisdt_c1.F to 32-bit integers for BLAS/LAPACK converting cisdt_c2.F to 32-bit integers for BLAS/LAPACK converting cisdt_c3.F to 32-bit integers for BLAS/LAPACK converting cisdt_e.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisdt' Making 32_to_64 in cisdtq make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisdtq' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 cisdtq_c1.F cisdtq_c2.F cisdtq_c3.F cisdtq_c4.F cisdtq_e.F converting cisdtq_c1.F to 32-bit integers for BLAS/LAPACK converting cisdtq_c2.F to 32-bit integers for BLAS/LAPACK converting cisdtq_c3.F to 32-bit integers for BLAS/LAPACK converting cisdtq_c4.F to 32-bit integers for BLAS/LAPACK converting cisdtq_e.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cisdtq' Making 32_to_64 in ccsd_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_act' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 ccsd_ea.F ccsd_t1a.F ccsd_t2a.F diag1_act2.F diag2_act2.F converting ccsd_ea.F to 32-bit integers for BLAS/LAPACK converting ccsd_t1a.F to 32-bit integers for BLAS/LAPACK converting ccsd_t2a.F to 32-bit integers for BLAS/LAPACK converting diag1_act2.F to 32-bit integers for BLAS/LAPACK converting diag2_act2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_act' Making 32_to_64 in eomccsd_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsd_act' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 eomccsd_x1a.F eomccsd_x2a.F q2na_hc1.F converting eomccsd_x1a.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x2a.F to 32-bit integers for BLAS/LAPACK converting q2na_hc1.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsd_act' Making 32_to_64 in cr_eomccsd_t_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cr_eomccsd_t_act' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 cr_ccsd_t_E_act.F q3rexpt2_act.F cr_ccsd_t_N_act.F creomccsd_t_n2_act_mem.F cr_eomt_simac.F ccsd_t_d_act.F cr_eomccsd_t_act.F cr_eomccsd_tasim.F converting cr_ccsd_t_E_act.F to 32-bit integers for BLAS/LAPACK converting q3rexpt2_act.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_N_act.F to 32-bit integers for BLAS/LAPACK converting creomccsd_t_n2_act_mem.F to 32-bit integers for BLAS/LAPACK converting cr_eomt_simac.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_d_act.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_act.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_tasim.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/cr_eomccsd_t_act' Making 32_to_64 in sort make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/sort' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/sort' Making 32_to_64 in ducc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ducc' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 rot_vir.F map_hcore.F converting rot_vir.F to 32-bit integers for BLAS/LAPACK converting map_hcore.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ducc' Making 32_to_64 in ucc4 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ucc4' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 ucc4_e_new.F ucc4_t1_new.F ucc4_t2.F ucc4_t2_t2_v_t.F ucc4_t3.F converting ucc4_e_new.F to 32-bit integers for BLAS/LAPACK converting ucc4_t1_new.F to 32-bit integers for BLAS/LAPACK converting ucc4_t2.F to 32-bit integers for BLAS/LAPACK converting ucc4_t2_t2_v_t.F to 32-bit integers for BLAS/LAPACK converting ucc4_t3.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ucc4' Making 32_to_64 in eaccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eaccsd' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 eaccsd_x1.F eaccsd_x2.F tce_print_eax1.F tce_print_eax2.F tce_eax1_offset.F tce_eax2_offset.F tce_eom_eaxguess.F tce_jacobi_eax1.F tce_jacobi_eax2.F converting eaccsd_x1.F to 32-bit integers for BLAS/LAPACK converting eaccsd_x2.F to 32-bit integers for BLAS/LAPACK converting tce_print_eax1.F to 32-bit integers for BLAS/LAPACK converting tce_print_eax2.F to 32-bit integers for BLAS/LAPACK converting tce_eax1_offset.F to 32-bit integers for BLAS/LAPACK converting tce_eax2_offset.F to 32-bit integers for BLAS/LAPACK converting tce_eom_eaxguess.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_eax1.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_eax2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eaccsd' Making 32_to_64 in ipccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ipccsd' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 ipccsd_x1.F ipccsd_x2.F tce_print_ipx1.F tce_print_ipx2.F tce_ipx1_offset.F tce_ipx2_offset.F tce_eom_ipxguess.F tce_jacobi_ipx1.F tce_jacobi_ipx2.F converting ipccsd_x1.F to 32-bit integers for BLAS/LAPACK converting ipccsd_x2.F to 32-bit integers for BLAS/LAPACK converting tce_print_ipx1.F to 32-bit integers for BLAS/LAPACK converting tce_print_ipx2.F to 32-bit integers for BLAS/LAPACK converting tce_ipx1_offset.F to 32-bit integers for BLAS/LAPACK converting tce_ipx2_offset.F to 32-bit integers for BLAS/LAPACK converting tce_eom_ipxguess.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_ipx1.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_ipx2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ipccsd' Making 32_to_64 in ccsdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsdt' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 ccsdt_e.F ccsdt_t1a.F ccsdt_t1.F ccsdt_t2a.F ccsdt_t2.F ccsdt_t3_1_2_2_2.F ccsdt_t3_1_2_2.F ccsdt_t3_1_2_3.F ccsdt_t3_1_2.F ccsdt_t3_1_3_2.F ccsdt_t3_1_3.F ccsdt_t3_1_4_2.F ccsdt_t3_1_4.F ccsdt_t3_1_5_2.F ccsdt_t3_1_5.F ccsdt_t3_1_6.F ccsdt_t3_1_7.F ccsdt_t3_1.F ccsdt_t3_2_2.F ccsdt_t3_2_3_2.F ccsdt_t3_2_3.F ccsdt_t3_2_4.F ccsdt_t3_2_5.F ccsdt_t3_2.F ccsdt_t3_3_2_2.F ccsdt_t3_3_2.F ccsdt_t3_3_3.F ccsdt_t3_3_4.F ccsdt_t3_3.F ccsdt_t3_4_2.F ccsdt_t3_4_3.F ccsdt_t3_4.F ccsdt_t3_5_2_2.F ccsdt_t3_5_2.F ccsdt_t3_5_3.F ccsdt_t3_5.F ccsdt_t3_6_2.F ccsdt_t3_6_3.F ccsdt_t3_6.F ccsdt_t3_7.F ccsdt_t3_8_1_2_2.F ccsdt_t3_8_1_2.F ccsdt_t3_8_1_3.F ccsdt_t3_8_1_4.F ccsdt_t3_8_1.F ccsdt_t3_8_2_2.F ccsdt_t3_8_2.F ccsdt_t3_8_3_2.F ccsdt_t3_8_3.F ccsdt_t3_8_4.F ccsdt_t3_8_5_1.F ccsdt_t3_8_5.F ccsdt_t3_8.F ccsdt_t3_9_1.F ccsdt_t3_9.F ccsdt_t3a_1_2_2_2.F ccsdt_t3a_1_2_2.F ccsdt_t3a_1_2_3.F ccsdt_t3a_1_2.F ccsdt_t3a_1_3_2.F ccsdt_t3a_1_3.F ccsdt_t3a_1_4_2.F ccsdt_t3a_1_4.F ccsdt_t3a_1_5_2.F ccsdt_t3a_1_5.F ccsdt_t3a_1_6.F ccsdt_t3a_1_7.F ccsdt_t3a_1.F ccsdt_t3a_2_2.F ccsdt_t3a_2_3_2.F ccsdt_t3a_2_3.F ccsdt_t3a_2_4.F ccsdt_t3a_2_5.F ccsdt_t3a_2.F ccsdt_t3a_3_2_2.F ccsdt_t3a_3_2.F ccsdt_t3a_3_3.F ccsdt_t3a_3_4.F ccsdt_t3a_3.F ccsdt_t3a_4_2.F ccsdt_t3a_4_3.F ccsdt_t3a_4.F ccsdt_t3a_5_2_2.F ccsdt_t3a_5_2.F ccsdt_t3a_5_3.F ccsdt_t3a_5.F ccsdt_t3a_6_2.F ccsdt_t3a_6_3.F ccsdt_t3a_6.F ccsdt_t3a_7.F ccsdt_t3a_8_1_2_2.F ccsdt_t3a_8_1_2.F ccsdt_t3a_8_1_3.F ccsdt_t3a_8_1_4.F ccsdt_t3a_8_1.F ccsdt_t3a_8_2_2.F ccsdt_t3a_8_2.F ccsdt_t3a_8_3_2.F ccsdt_t3a_8_3.F ccsdt_t3a_8_4.F ccsdt_t3a_8_5_1.F ccsdt_t3a_8_5.F ccsdt_t3a_8.F ccsdt_t3a_9_1.F ccsdt_t3a_9.F converting ccsdt_e.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t1a.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t2a.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_9.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsdt' Making 32_to_64 in ccsdt_lambda make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsdt_lambda' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 ccsdt_density1.F ccsdt_lambda1_10_1.F ccsdt_lambda1_10_2.F ccsdt_lambda1_10_3.F ccsdt_lambda1_10.F ccsdt_lambda1_11_1.F ccsdt_lambda1_11_2.F ccsdt_lambda1_11_3.F ccsdt_lambda1_11.F ccsdt_lambda1_12_1.F ccsdt_lambda1_12_2.F ccsdt_lambda1_12_3.F ccsdt_lambda1_12.F ccsdt_lambda1_13_1.F ccsdt_lambda1_13_2.F ccsdt_lambda1_13.F ccsdt_lambda1_14_1.F ccsdt_lambda1_14_2.F ccsdt_lambda1_14_3_1.F ccsdt_lambda1_14_3_2.F ccsdt_lambda1_14_3_3_1.F ccsdt_lambda1_14_3_3_2.F ccsdt_lambda1_14_3_3.F ccsdt_lambda1_14_3.F ccsdt_lambda1_14_4_1.F ccsdt_lambda1_14_4.F ccsdt_lambda1_14_5_1.F ccsdt_lambda1_14_5_2.F ccsdt_lambda1_14_5.F ccsdt_lambda1_14_6_1.F ccsdt_lambda1_14_6.F ccsdt_lambda1_14_7_1.F ccsdt_lambda1_14_7.F ccsdt_lambda1_14_8_1.F ccsdt_lambda1_14_8.F ccsdt_lambda1_14_9_1_1.F ccsdt_lambda1_14_9_1.F ccsdt_lambda1_14_9.F ccsdt_lambda1_14.F ccsdt_lambda1_15_1.F ccsdt_lambda1_15_2.F ccsdt_lambda1_15_3_1.F ccsdt_lambda1_15_3.F ccsdt_lambda1_15_4_1.F ccsdt_lambda1_15_4.F ccsdt_lambda1_15.F ccsdt_lambda1_16_1.F ccsdt_lambda1_16_2.F ccsdt_lambda1_16_3_1.F ccsdt_lambda1_16_3_2.F ccsdt_lambda1_16_3.F ccsdt_lambda1_16_4_1.F ccsdt_lambda1_16_4.F ccsdt_lambda1_16.F ccsdt_lambda1_17_1.F ccsdt_lambda1_17.F ccsdt_lambda1_18_1_2.F ccsdt_lambda1_18_1_3.F ccsdt_lambda1_18_1_4.F ccsdt_lambda1_18_1.F ccsdt_lambda1_18_2_2.F ccsdt_lambda1_18_2.F ccsdt_lambda1_18_3_2.F ccsdt_lambda1_18_3.F ccsdt_lambda1_18_4.F ccsdt_lambda1_18_5_1.F ccsdt_lambda1_18_5.F ccsdt_lambda1_18_6_1_1.F ccsdt_lambda1_18_6_1.F ccsdt_lambda1_18_6.F ccsdt_lambda1_18.F ccsdt_lambda1_19_1.F ccsdt_lambda1_19.F ccsdt_lambda1_20_1_1.F ccsdt_lambda1_20_1.F ccsdt_lambda1_20.F ccsdt_lambda1_21_1_1.F ccsdt_lambda1_21_1.F ccsdt_lambda1_21_2_1_1.F ccsdt_lambda1_21_2_1.F ccsdt_lambda1_21_2.F ccsdt_lambda1_21.F ccsdt_lambda1_2_2_2.F ccsdt_lambda1_2_2.F ccsdt_lambda1_2_3.F ccsdt_lambda1_2_4.F ccsdt_lambda1_2.F ccsdt_lambda1_3_2.F ccsdt_lambda1_3_3_1.F ccsdt_lambda1_3_3.F ccsdt_lambda1_3.F ccsdt_lambda1_4.F ccsdt_lambda1_5_2_2_2.F ccsdt_lambda1_5_2_2.F ccsdt_lambda1_5_2_3.F ccsdt_lambda1_5_2_4.F ccsdt_lambda1_5_2.F ccsdt_lambda1_5_3_2.F ccsdt_lambda1_5_3.F ccsdt_lambda1_5_4.F ccsdt_lambda1_5_5_2.F ccsdt_lambda1_5_5.F ccsdt_lambda1_5_6_2.F ccsdt_lambda1_5_6.F ccsdt_lambda1_5_7.F ccsdt_lambda1_5_8.F ccsdt_lambda1_5.F ccsdt_lambda1_6_2_2_2.F ccsdt_lambda1_6_2_2.F ccsdt_lambda1_6_2_3.F ccsdt_lambda1_6_2.F ccsdt_lambda1_6_3_2.F ccsdt_lambda1_6_3.F ccsdt_lambda1_6_4_2.F ccsdt_lambda1_6_4.F ccsdt_lambda1_6_5_2.F ccsdt_lambda1_6_5.F ccsdt_lambda1_6_6.F ccsdt_lambda1_6_7.F ccsdt_lambda1_6.F ccsdt_lambda1_7_2.F ccsdt_lambda1_7.F ccsdt_lambda1_8_10_2.F ccsdt_lambda1_8_10.F ccsdt_lambda1_8_11.F ccsdt_lambda1_8_12_1.F ccsdt_lambda1_8_12_2.F ccsdt_lambda1_8_12_3.F ccsdt_lambda1_8_12.F ccsdt_lambda1_8_13_1.F ccsdt_lambda1_8_13_2.F ccsdt_lambda1_8_13_3.F ccsdt_lambda1_8_13.F ccsdt_lambda1_8_14_1.F ccsdt_lambda1_8_14_2.F ccsdt_lambda1_8_14.F ccsdt_lambda1_8_2_2_2_2.F ccsdt_lambda1_8_2_2_2.F ccsdt_lambda1_8_2_2_3.F ccsdt_lambda1_8_2_2.F ccsdt_lambda1_8_2_3_2.F ccsdt_lambda1_8_2_3.F ccsdt_lambda1_8_2_4.F ccsdt_lambda1_8_2_5_1.F ccsdt_lambda1_8_2_5.F ccsdt_lambda1_8_2.F ccsdt_lambda1_8_3_2.F ccsdt_lambda1_8_3.F ccsdt_lambda1_8_4_2_1.F ccsdt_lambda1_8_4_2.F ccsdt_lambda1_8_4.F ccsdt_lambda1_8_5_2_1.F ccsdt_lambda1_8_5_2.F ccsdt_lambda1_8_5.F ccsdt_lambda1_8_6_2_2.F ccsdt_lambda1_8_6_2.F ccsdt_lambda1_8_6_3.F ccsdt_lambda1_8_6.F ccsdt_lambda1_8_7_2.F ccsdt_lambda1_8_7_3.F ccsdt_lambda1_8_7.F ccsdt_lambda1_8_8.F ccsdt_lambda1_8_9_2.F ccsdt_lambda1_8_9.F ccsdt_lambda1_8.F ccsdt_lambda1_9_2.F ccsdt_lambda1_9_3.F ccsdt_lambda1_9_4_1.F ccsdt_lambda1_9_4_2.F ccsdt_lambda1_9_4_3.F ccsdt_lambda1_9_4.F ccsdt_lambda1_9_5_1.F ccsdt_lambda1_9_5_2.F ccsdt_lambda1_9_5.F ccsdt_lambda1_9_6_1.F ccsdt_lambda1_9_6.F ccsdt_lambda1_9.F ccsdt_lambda2_10_2_2_2.F ccsdt_lambda2_10_2_2.F ccsdt_lambda2_10_2_3.F ccsdt_lambda2_10_2_4.F ccsdt_lambda2_10_2.F ccsdt_lambda2_10_3_2.F ccsdt_lambda2_10_3_3.F ccsdt_lambda2_10_3.F ccsdt_lambda2_10_4.F ccsdt_lambda2_10_5_2.F ccsdt_lambda2_10_5.F ccsdt_lambda2_10_6.F ccsdt_lambda2_10_7.F ccsdt_lambda2_10_8.F ccsdt_lambda2_10.F ccsdt_lambda2_11_2_2_2.F ccsdt_lambda2_11_2_2.F ccsdt_lambda2_11_2_3.F ccsdt_lambda2_11_2.F ccsdt_lambda2_11_3_2.F ccsdt_lambda2_11_3.F ccsdt_lambda2_11_4_2.F ccsdt_lambda2_11_4.F ccsdt_lambda2_11_5_2.F ccsdt_lambda2_11_5.F ccsdt_lambda2_11_6.F ccsdt_lambda2_11_7.F ccsdt_lambda2_11.F ccsdt_lambda2_12_2.F ccsdt_lambda2_12_3_2.F ccsdt_lambda2_12_3.F ccsdt_lambda2_12_4.F ccsdt_lambda2_12_5.F ccsdt_lambda2_12_6_1.F ccsdt_lambda2_12_6.F ccsdt_lambda2_12_7_1.F ccsdt_lambda2_12_7.F ccsdt_lambda2_12.F ccsdt_lambda2_13_1.F ccsdt_lambda2_13_2.F ccsdt_lambda2_13_3.F ccsdt_lambda2_13.F ccsdt_lambda2_14_1.F ccsdt_lambda2_14_2.F ccsdt_lambda2_14.F ccsdt_lambda2_15_1.F ccsdt_lambda2_15_2.F ccsdt_lambda2_15.F ccsdt_lambda2_16_1.F ccsdt_lambda2_16_2.F ccsdt_lambda2_16.F ccsdt_lambda2_17_1.F ccsdt_lambda2_17.F ccsdt_lambda2_18_1.F ccsdt_lambda2_18_2.F ccsdt_lambda2_18.F ccsdt_lambda2_19_1.F ccsdt_lambda2_19_2.F ccsdt_lambda2_19_3_1.F ccsdt_lambda2_19_3.F ccsdt_lambda2_19_4_1.F ccsdt_lambda2_19_4.F ccsdt_lambda2_19.F ccsdt_lambda2_20_1.F ccsdt_lambda2_20.F ccsdt_lambda2_21_1.F ccsdt_lambda2_21.F ccsdt_lambda2_22_1.F ccsdt_lambda2_2_2.F ccsdt_lambda2_22.F ccsdt_lambda2_23_1.F ccsdt_lambda2_23_2_1.F ccsdt_lambda2_23_2_2.F ccsdt_lambda2_23_2.F ccsdt_lambda2_23_3_1.F ccsdt_lambda2_23_3.F ccsdt_lambda2_23.F ccsdt_lambda2_24_1_1.F ccsdt_lambda2_24_1.F ccsdt_lambda2_24.F ccsdt_lambda2_25_1_1.F ccsdt_lambda2_25_1.F ccsdt_lambda2_25.F ccsdt_lambda2_26_1_1.F ccsdt_lambda2_26_1.F ccsdt_lambda2_26_2_1_1.F ccsdt_lambda2_26_2_1.F ccsdt_lambda2_26_2.F ccsdt_lambda2_26.F ccsdt_lambda2_2.F ccsdt_lambda2_3_2.F ccsdt_lambda2_3.F ccsdt_lambda2_4.F ccsdt_lambda2_5_2_2.F ccsdt_lambda2_5_2.F ccsdt_lambda2_5_3.F ccsdt_lambda2_5_4.F ccsdt_lambda2_5.F ccsdt_lambda2_6_2.F ccsdt_lambda2_6_3.F ccsdt_lambda2_6_4_1.F ccsdt_lambda2_6_4.F ccsdt_lambda2_6.F ccsdt_lambda2_7_2_2.F ccsdt_lambda2_7_2.F ccsdt_lambda2_7_3.F ccsdt_lambda2_7.F ccsdt_lambda2_8_2.F ccsdt_lambda2_8_3.F ccsdt_lambda2_8.F ccsdt_lambda2_9.F ccsdt_lambda3.F converting ccsdt_density1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_6_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_19.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_20_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_20.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_6_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_20.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_21.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_22_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_22.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_24_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_24_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_24.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_25_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_25_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_25.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_7_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda3.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsdt_lambda' Making 32_to_64 in eomccsdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsdt' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 eomccsdt_denominator.F eomccsdt_density1_1_1.F eomccsdt_density1_1_2.F eomccsdt_density1_1_3.F eomccsdt_density1_1.F eomccsdt_density1_2_1.F eomccsdt_density1_2_2_1.F eomccsdt_density1_2_2.F eomccsdt_density1_2.F eomccsdt_density1_3_1.F eomccsdt_density1_3_2.F eomccsdt_density1_3_3.F eomccsdt_density1_3_4_1.F eomccsdt_density1_3_4_2.F eomccsdt_density1_3_4_3.F eomccsdt_density1_3_4.F eomccsdt_density1_3_5_1.F eomccsdt_density1_3_5_2.F eomccsdt_density1_3_5.F eomccsdt_density1_3_6_1.F eomccsdt_density1_3_6.F eomccsdt_density1_3.F eomccsdt_density1_4_1.F eomccsdt_density1_4_2_1.F eomccsdt_density1_4_2.F eomccsdt_density1_4.F eomccsdt_density1_5_10_1.F eomccsdt_density1_5_10_2_1.F eomccsdt_density1_5_10_2_2.F eomccsdt_density1_5_10_2.F eomccsdt_density1_5_10_3_1.F eomccsdt_density1_5_10_3.F eomccsdt_density1_5_10.F eomccsdt_density1_5_11_1.F eomccsdt_density1_5_11.F eomccsdt_density1_5_12_1.F eomccsdt_density1_5_12.F eomccsdt_density1_5_13_1_1.F eomccsdt_density1_5_13_1.F eomccsdt_density1_5_13.F eomccsdt_density1_5_1.F eomccsdt_density1_5_2.F eomccsdt_density1_5_3_1.F eomccsdt_density1_5_3_2.F eomccsdt_density1_5_3_3.F eomccsdt_density1_5_3_4_1.F eomccsdt_density1_5_3_4_2.F eomccsdt_density1_5_3_4_3.F eomccsdt_density1_5_3_4.F eomccsdt_density1_5_3_5_1.F eomccsdt_density1_5_3_5_2.F eomccsdt_density1_5_3_5.F eomccsdt_density1_5_3_6_1.F eomccsdt_density1_5_3_6.F eomccsdt_density1_5_3.F eomccsdt_density1_5_4_1.F eomccsdt_density1_5_4_2.F eomccsdt_density1_5_4_3.F eomccsdt_density1_5_4.F eomccsdt_density1_5_5_1.F eomccsdt_density1_5_5_2.F eomccsdt_density1_5_5_3.F eomccsdt_density1_5_5.F eomccsdt_density1_5_6_1.F eomccsdt_density1_5_6_2.F eomccsdt_density1_5_6.F eomccsdt_density1_5_7_1.F eomccsdt_density1_5_7.F eomccsdt_density1_5_8_1.F eomccsdt_density1_5_8_2.F eomccsdt_density1_5_8_3.F eomccsdt_density1_5_8.F eomccsdt_density1_5_9_1.F eomccsdt_density1_5_9_2.F eomccsdt_density1_5_9.F eomccsdt_density1_5.F eomccsdt_density1_6_1.F eomccsdt_density1_6_2.F eomccsdt_density1_6_3_1.F eomccsdt_density1_6_3_2.F eomccsdt_density1_6_3.F eomccsdt_density1_6_4_1.F eomccsdt_density1_6_4_2.F eomccsdt_density1_6_4.F eomccsdt_density1_6_5_1.F eomccsdt_density1_6_5.F eomccsdt_density1_6.F eomccsdt_x1a.F eomccsdt_x1.F eomccsdt_x2a_all12.F eomccsdt_x2a_all15.F eomccsdt_x2a_all18.F eomccsdt_x2a_all3.F eomccsdt_x2a_all6.F eomccsdt_x2a_all9.F eomccsdt_x2_all12.F eomccsdt_x2_all15.F eomccsdt_x2_all18.F eomccsdt_x2_all3.F eomccsdt_x2_all6.F eomccsdt_x2_all9.F eomccsdt_x3a_all12.F eomccsdt_x3a_all15.F eomccsdt_x3a_all17.F eomccsdt_x3a_all3.F eomccsdt_x3a_all6.F eomccsdt_x3a_all9.F eomccsdt_x3_all12.F eomccsdt_x3_all15.F eomccsdt_x3_all17.F eomccsdt_x3_all3.F eomccsdt_x3_all6.F eomccsdt_x3_all9.F eomccsdt_y1_all12.F eomccsdt_y1_all15.F eomccsdt_y1_all18.F eomccsdt_y1_all20.F eomccsdt_y1_all3.F eomccsdt_y1_all6.F eomccsdt_y1_all9.F eomccsdt_y2_all12.F eomccsdt_y2_all15.F eomccsdt_y2_all18.F eomccsdt_y2_all21.F eomccsdt_y2_all24.F eomccsdt_y2_all25.F eomccsdt_y2_all3.F eomccsdt_y2_all6.F eomccsdt_y2_all9.F eomccsdt_y3.F converting eomccsdt_denominator.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_2_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_4_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_11_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_12_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_13_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_8_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_8_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_9_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_9_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x1a.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all18.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all18.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all17.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all17.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all18.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all20.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all18.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all21.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all24.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all25.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y3.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/eomccsdt' Making 32_to_64 in ccsd_alpha make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_alpha' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 alpha_1_1_1.F alpha_1_1_2.F alpha_1_1_3_1.F alpha_1_1_3_2.F alpha_1_1_3.F alpha_1_1_4_1.F alpha_1_1_4_2.F alpha_1_1_4.F alpha_1_1_5_1.F alpha_1_1_5.F alpha_1_1_6_1.F alpha_1_1_6.F alpha_1_1.F alpha_1_2_1.F alpha_1_2_2.F alpha_1_2.F alpha_1_3_1.F alpha_1_3.F alpha_1_4_1.F alpha_1_4.F alpha_1.F alpha_2_1_1.F alpha_2_1.F alpha_2_2_1_1.F alpha_2_2_1_2.F alpha_2_2_1.F alpha_2_2_2_1.F alpha_2_2_2_2.F alpha_2_2_2.F alpha_2_2_3_1.F alpha_2_2_3.F alpha_2_2_4_1.F alpha_2_2_4.F alpha_2_2.F alpha_2_3_1_1.F alpha_2_3_1_2.F alpha_2_3_1_3_1.F alpha_2_3_1_3.F alpha_2_3_1_4_1.F alpha_2_3_1_4.F alpha_2_3_1.F alpha_2_3_2_1.F alpha_2_3_2_2.F alpha_2_3_2_3_1.F alpha_2_3_2_3.F alpha_2_3_2_4_1.F alpha_2_3_2_4.F alpha_2_3_2.F alpha_2_3_3_1.F alpha_2_3_3.F alpha_2_3_4_1.F alpha_2_3_4.F alpha_2_3_5_1.F alpha_2_3_5.F alpha_2_3_6_1.F alpha_2_3_6.F alpha_2_3_7_1.F alpha_2_3_7.F alpha_2_3_8_1.F alpha_2_3_8.F alpha_2_3_9_1_1.F alpha_2_3_9_1.F alpha_2_3_9_2_1.F alpha_2_3_9_2.F alpha_2_3_9.F alpha_2_3.F alpha_2_4_1_1.F alpha_2_4_1.F alpha_2_4.F alpha_2_5_10_1_1.F alpha_2_5_10_1.F alpha_2_5_10_2_1.F alpha_2_5_10_2.F alpha_2_5_10_3_1.F alpha_2_5_10_3.F alpha_2_5_10_4_1.F alpha_2_5_10_4.F alpha_2_5_10_5_1.F alpha_2_5_10_5.F alpha_2_5_10_6_1.F alpha_2_5_10_6.F alpha_2_5_10_7_1.F alpha_2_5_10_7.F alpha_2_5_10_8_1_1.F alpha_2_5_10_8_1.F alpha_2_5_10_8.F alpha_2_5_10.F alpha_2_5_11_1_1.F alpha_2_5_11_1.F alpha_2_5_1_1.F alpha_2_5_11.F alpha_2_5_12_1_1.F alpha_2_5_12_1.F alpha_2_5_1_2.F alpha_2_5_12.F alpha_2_5_13_1_1.F alpha_2_5_1_3_1.F alpha_2_5_13_1.F alpha_2_5_13_2_1.F alpha_2_5_13_2.F alpha_2_5_1_3.F alpha_2_5_13.F alpha_2_5_14_1_1.F alpha_2_5_14_1.F alpha_2_5_14_2_1.F alpha_2_5_14_2.F alpha_2_5_14.F alpha_2_5_1.F alpha_2_5_2_1.F alpha_2_5_2.F alpha_2_5_3_1.F alpha_2_5_3_2.F alpha_2_5_3.F alpha_2_5_4_1.F alpha_2_5_4_2_1.F alpha_2_5_4_2.F alpha_2_5_4.F alpha_2_5_5_1.F alpha_2_5_5_2.F alpha_2_5_5.F alpha_2_5_6_1.F alpha_2_5_6.F alpha_2_5_7_1.F alpha_2_5_7.F alpha_2_5_8_1.F alpha_2_5_8.F alpha_2_5_9_1.F alpha_2_5_9.F alpha_2_5.F alpha_2_6_1_1.F alpha_2_6_1.F alpha_2_6.F alpha_2_7_1_1.F alpha_2_7_1_2_1.F alpha_2_7_1_2.F alpha_2_7_1.F alpha_2_7_2_1.F alpha_2_7_2.F alpha_2_7_3_1.F alpha_2_7_3.F alpha_2_7_4_1.F alpha_2_7_4_2_1.F alpha_2_7_4_2.F alpha_2_7_4.F alpha_2_7_5_1.F alpha_2_7_5.F alpha_2_7_6_1.F alpha_2_7_6.F alpha_2_7_7_1_1.F alpha_2_7_7_1.F alpha_2_7_7.F alpha_2_7.F alpha_2_8_1_1.F alpha_2_8_1.F alpha_2_8_2_1.F alpha_2_8_2.F alpha_2_8_3_1.F alpha_2_8_3.F alpha_2_8_4_1_1.F alpha_2_8_4_1_2_1.F alpha_2_8_4_1_2.F alpha_2_8_4_1.F alpha_2_8_4_2_1.F alpha_2_8_4_2.F alpha_2_8_4_3_1.F alpha_2_8_4_3_2_1.F alpha_2_8_4_3_2.F alpha_2_8_4_3.F alpha_2_8_4_4_1.F alpha_2_8_4_4.F alpha_2_8_4_5_1_1.F alpha_2_8_4_5_1.F alpha_2_8_4_5.F alpha_2_8_4.F alpha_2_8_5_1_1.F alpha_2_8_5_1.F alpha_2_8_5_2_1.F alpha_2_8_5_2.F alpha_2_8_5.F alpha_2_8_6_1_1.F alpha_2_8_6_1.F alpha_2_8_6_2_1.F alpha_2_8_6_2.F alpha_2_8_6_3_1.F alpha_2_8_6_3.F alpha_2_8_6_4_1.F alpha_2_8_6_4.F alpha_2_8_6.F alpha_2_8_7_1_1.F alpha_2_8_7_1.F alpha_2_8_7.F alpha_2_8_8_1_1.F alpha_2_8_8_1.F alpha_2_8_8.F alpha_2_8.F alpha_2.F dip_r_1_1.F dip_r_1_2.F dip_r_1.F dip_r_2.F dip_r.F converting alpha_1_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_3_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_3.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_4_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_4.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_5.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_6.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_3.F to 32-bit integers for BLAS/LAPACK converting alpha_1_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_4.F to 32-bit integers for BLAS/LAPACK converting alpha_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_8_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_11_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_11_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_11.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_12_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_12_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_12.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_3_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_4_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_4_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_5_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_9_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_9.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_6_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_1_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_4_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_4_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_7_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_3_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_5_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_7_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_8_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2.F to 32-bit integers for BLAS/LAPACK converting dip_r_1_1.F to 32-bit integers for BLAS/LAPACK converting dip_r_1_2.F to 32-bit integers for BLAS/LAPACK converting dip_r_1.F to 32-bit integers for BLAS/LAPACK converting dip_r_2.F to 32-bit integers for BLAS/LAPACK converting dip_r.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_alpha' Making 32_to_64 in ccsd_beta make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_beta' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 beta_1_all.F beta_2_all.F beta_3_all.F beta_4_all.F beta_1_3_3_1_1.F beta_1_4_1_2_1.F beta_1_3_1_4_1.F beta_3_7_5_1_1.F beta_3_1_3_1.F beta_3_2_1_2.F beta_1_4_2_2.F beta_1_3_4_1.F beta_1_4_1_4.F beta_1_3_1_7.F beta_3_7_2_1.F beta_3_2_9_2.F beta_3_3_1.F beta_4_1_2.F beta_3_2_3.F beta_3_4_11_1.F beta_3_4_10_3.F beta_1_4_5.F beta_1_3_7.F beta_1_4_1_1_2_1.F beta_4_3.F beta_3_5.F beta_1_4_2_1_1.F beta_1_4_6_3_1.F beta_3_7_4_3_1.F beta_3_2_2_1.F beta_1_4_3_1.F beta_3_2_1_3.F beta_3_4_10_1_1.F beta_1_4_1_5.F beta_1_3_1_8.F beta_3_6_4_1.F beta_3_4_7_1.F beta_4_2_1.F beta_3_2_4.F beta_1_4_6.F beta_3_4_10_4.F beta_1_3_8.F beta_4_4.F beta_3_6.F beta_3_7_4_5_1_1.F beta_1_1_1_1_1.F beta_1_4_1_3_1.F beta_1_3_1_5_1.F beta_3_6_1_2_1.F beta_3_6_7_1_1.F beta_3_7_5_2_1.F beta_3_7_4_3_2.F beta_3_3_1_1.F beta_3_2_2_2.F beta_3_1_4_1.F beta_3_2_1_4.F beta_1_3_5_1.F beta_1_4_3_2.F beta_3_7_3_1.F beta_3_6_4_2.F beta_3_4_1.F beta_3_4_12_1.F beta_3_2_5.F beta_3_4_10_5.F beta_1_4_6_1_1_1.F beta_3_7.F beta_1_3_4_1_1.F beta_1_4_2_2_1.F beta_1_4_1_3_2.F beta_3_4_4_2_1.F beta_3_7_6_1_1.F beta_3_7_4_4_1.F beta_3_2_3_1.F beta_3_4_10_2_1.F beta_3_2_2_3.F beta_1_4_4_1.F beta_1_4_3_3.F beta_3_6_5_1.F beta_3_4_8_1.F beta_4_3_1.F beta_3_4_2.F beta_3_2_6.F beta_3_4_10_6.F beta_1_1_1_2_1.F beta_1_4_3_1_1.F beta_3_2_1_3_1.F beta_1_4_1_4_1.F beta_1_3_1_6_1.F beta_1_1_1_1.F beta_3_4_11_1_1.F beta_1_3_6_1.F beta_3_2_2_4.F beta_1_4_3_4.F beta_3_7_4_1.F beta_4_3_2.F beta_3_5_1.F beta_3_4_3.F beta_3_4_13_1.F beta_3_2_7.F beta_3_4_10_7.F beta_1_1_2_1_1.F beta_3_7_6_2_1.F beta_3_7_4_5_1.F beta_1_1_1_2.F beta_3_4_1_1.F beta_3_2_4_1.F beta_1_4_5_1.F beta_3_4_10_3_1.F beta_1_3_6_2.F beta_3_7_4_2.F beta_3_6_6_1.F beta_3_4_9_1.F beta_4_4_1.F beta_4_3_3.F beta_3_4_4.F beta_3_4_13_2.F beta_3_2_8.F beta_3_4_10_8.F beta_1_4_6_2_1_1.F beta_1_3_8_1_1_1.F beta_1_2_1_1_1.F beta_1_4_3_2_1.F beta_1_3_5_1_1.F beta_3_2_1_4_1.F beta_1_4_1_5_1.F beta_1_3_1_7_1.F beta_3_7_7_1_1.F beta_1_1_2_1.F beta_3_4_1_2.F beta_1_3_7_1.F beta_3_7_5_1.F beta_3_7_4_3.F beta_1_1_1.F beta_3_6_1.F beta_4_3_4.F beta_3_4_14_1.F beta_3_4_5.F beta_3_2_9.F beta_1_4_1_3_2_1.F beta_1_1_2_2_1.F beta_1_4_4_1_1.F beta_3_2_2_3_1.F beta_3_7_6_3_1.F beta_1_2_1_1.F beta_1_1_2_2.F beta_3_4_2_1.F beta_3_2_5_1.F beta_3_4_12_1_1.F beta_3_4_1_3.F beta_1_4_6_1.F beta_3_4_10_4_1.F beta_1_3_7_2.F beta_3_7_5_2.F beta_3_6_7_1.F beta_3_7_4_4.F beta_1_1_2.F beta_3_6_2.F beta_4_3_5.F beta_3_4_14_2.F beta_3_4_6.F beta_3_7_4_1_2_1.F beta_1_1_3_1_1.F beta_1_4_3_3_1.F beta_1_3_1_8_1.F beta_3_2_9_1_1.F beta_2_1_1_1.F beta_1_1_3_1.F beta_4_3_2_1.F beta_3_5_1_1.F beta_1_4_6_2.F beta_1_3_8_1.F beta_3_7_6_1.F beta_3_7_4_5.F beta_1_2_1.F beta_1_1_3.F beta_3_7_1.F beta_3_6_3.F beta_3_4_7.F beta_1_1.F beta_1_4_6_3_1_1.F beta_1_2_2_1_1.F beta_1_3_6_1_1.F beta_3_2_2_4_1.F beta_3_4_10_8_1_1.F beta_3_7_8_1_1.F beta_3_7_6_4_1.F beta_2_1_1_2.F beta_1_2_2_1.F beta_1_1_3_2.F beta_4_3_2_2.F beta_3_4_3_1.F beta_3_2_6_1.F beta_3_4_10_5_1.F beta_1_4_6_3.F beta_3_7_6_2.F beta_2_1_1.F beta_1_2_2.F beta_3_7_2.F beta_3_6_4.F beta_3_4_8.F beta_1_2.F beta_1_3_1_1_1.F beta_1_1_3_2_1.F beta_1_4_5_1_1.F beta_1_4_3_4_1.F beta_3_2_9_2_1.F beta_2_1_2_1.F beta_1_3_1_1.F beta_4_3_3_1.F beta_3_4_3_2.F beta_3_4_13_1_1.F beta_3_7_7_1.F beta_3_7_6_3.F beta_1_3_1.F beta_2_1_2.F beta_1_2_3.F beta_3_7_3.F beta_3_6_5.F beta_3_4_9.F beta_2_1.F beta_1_3.F beta_1_4_1_5_1_1.F beta_1_3_6_2_1.F beta_3_6_4_2_1.F beta_2_1_2_2.F beta_1_3_1_2.F beta_1_2_3_1.F beta_3_6_1_1.F beta_3_4_4_1.F beta_4_3_3_2.F beta_3_2_7_1.F beta_3_4_10_6_1.F beta_3_7_6_4.F beta_2_1_3.F beta_1_3_2.F beta_3_7_4.F beta_3_6_6.F beta_1_4.F beta_3_4_10.F beta_1_3_1_2_1.F beta_1_2_3_1_1.F beta_3_4_1_3_1.F beta_1_3_7_1_1.F beta_3_1_1_1.F beta_1_3_2_1.F beta_2_1_3_1.F beta_1_3_1_3.F beta_4_3_4_1.F beta_3_6_1_2.F beta_3_4_13_2_1.F beta_3_4_4_2.F beta_3_7_8_1.F beta_3_1_1.F beta_1_4_1.F beta_1_3_3.F beta_2_1_4.F beta_3_7_5.F beta_3_6_7.F beta_3_1.F beta_3_4_11.F beta_1_3_2_1_1.F beta_1_4_6_1_1.F beta_3_7_4_1_1.F beta_1_4_1_1.F beta_3_1_1_2.F beta_1_3_1_4.F beta_3_6_2_1.F beta_3_4_14_1_1.F beta_3_4_5_1.F beta_3_2_8_1.F beta_3_4_10_7_1.F beta_3_1_2.F beta_1_4_2.F beta_1_3_4.F beta_3_7_6.F beta_3_2.F beta_3_4_12.F beta_3_7_4_3_2_1.F beta_1_4_1_1_1.F beta_1_3_1_3_1.F beta_1_3_7_2_1.F beta_3_7_4_1_2.F beta_3_1_2_1.F beta_1_4_1_2.F beta_1_3_3_1.F beta_2_1_4_1.F beta_1_3_1_5.F beta_3_7_1_1.F beta_4_3_5_1.F beta_3_4_5_2.F beta_3_2_1.F beta_3_1_3.F beta_1_4_3.F beta_3_4_10_1.F beta_1_3_5.F beta_3_7_7.F beta_4_1.F beta_3_3.F beta_3_4_13.F beta_1_3_1_8_1_1.F beta_1_4_1_1_2.F beta_1_4_6_2_1.F beta_1_3_8_1_1.F beta_3_7_4_2_1.F beta_3_2_1_1.F beta_1_4_2_1.F beta_3_1_2_2.F beta_1_4_1_3.F beta_1_3_1_6.F beta_3_6_3_1.F beta_3_4_14_2_1.F beta_3_4_6_1.F beta_3_2_9_1.F beta_3_4_10_8_1.F beta_4_1_1.F beta_3_2_2.F beta_3_1_4.F beta_1_4_4.F beta_3_4_10_2.F beta_1_3_6.F beta_3_7_8.F beta_4_2.F beta_3_4.F beta_3_4_14.F converting beta_1_all.F to 32-bit integers for BLAS/LAPACK converting beta_2_all.F to 32-bit integers for BLAS/LAPACK converting beta_3_all.F to 32-bit integers for BLAS/LAPACK converting beta_4_all.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_7.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_11_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_8.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_8.F to 32-bit integers for BLAS/LAPACK converting beta_4_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_7_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_12_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_6.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_11_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_7.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_7.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_9_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_8.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_8.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_8_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_7_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_12_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_2.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_7.F to 32-bit integers for BLAS/LAPACK converting beta_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_8_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_8_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_2.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_8.F to 32-bit integers for BLAS/LAPACK converting beta_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_9.F to 32-bit integers for BLAS/LAPACK converting beta_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_4.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_6.F to 32-bit integers for BLAS/LAPACK converting beta_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_3.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_7.F to 32-bit integers for BLAS/LAPACK converting beta_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_11.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_12.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_5_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_7.F to 32-bit integers for BLAS/LAPACK converting beta_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_8_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_8_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_8.F to 32-bit integers for BLAS/LAPACK converting beta_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_beta' Making 32_to_64 in ccsd_yr make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_yr' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 ccsd_y_o1.F ccsd_y_o2.F ccsd_yr1.F ccsd_yr2.F ccsd_y_tr1.F ccsd_y_tr2.F alpha_2_yr.F ccsd_lr_d1_hh.F ccsd_lr_d1_ph.F ccsd_lr_d1_hp.F ccsd_lr_d1_pp.F converting ccsd_y_o1.F to 32-bit integers for BLAS/LAPACK converting ccsd_y_o2.F to 32-bit integers for BLAS/LAPACK converting ccsd_yr1.F to 32-bit integers for BLAS/LAPACK converting ccsd_yr2.F to 32-bit integers for BLAS/LAPACK converting ccsd_y_tr1.F to 32-bit integers for BLAS/LAPACK converting ccsd_y_tr2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_yr.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_d1_hh.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_d1_ph.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_d1_hp.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_d1_pp.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/ccsd_yr' Making 32_to_64 in response make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/response' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 ccsd_o1.F ccsd_o2.F eomccsd_o1.F eomccsd_o2.F ccsdt_o1.F ccsdt_o2.F ccsdt_o3.F ccsdtq_o1.F ccsdtq_o2.F ccsdtq_o3.F ccsdtq_o4.F converting ccsd_o1.F to 32-bit integers for BLAS/LAPACK converting ccsd_o2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_o1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_o2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_o1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_o2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_o3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o4.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/response' Making 32_to_64 in mrcc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc' Making 32_to_64 in include make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/include' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/include' Making 32_to_64 in ccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 mr_ccsd_e.F mr_ccsd_t1.F mr_ccsd_t2.F mr_ccsd_dcl.F T2_C2_1.F T2_C2.F T2_pg_C2_1.F T2_pg_C2.F converting mr_ccsd_e.F to 32-bit integers for BLAS/LAPACK converting mr_ccsd_t1.F to 32-bit integers for BLAS/LAPACK converting mr_ccsd_t2.F to 32-bit integers for BLAS/LAPACK converting mr_ccsd_dcl.F to 32-bit integers for BLAS/LAPACK converting T2_C2_1.F to 32-bit integers for BLAS/LAPACK converting T2_C2.F to 32-bit integers for BLAS/LAPACK converting T2_pg_C2_1.F to 32-bit integers for BLAS/LAPACK converting T2_pg_C2.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd' Making 32_to_64 in ccsd_sub make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd_sub' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 ccsd_st1.F ccsd_st2.F ccsd_se.F ccsd_dcl_sub.F converting ccsd_st1.F to 32-bit integers for BLAS/LAPACK converting ccsd_st2.F to 32-bit integers for BLAS/LAPACK converting ccsd_se.F to 32-bit integers for BLAS/LAPACK converting ccsd_dcl_sub.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd_sub' Making 32_to_64 in ccsd_t make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd_t' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 tce_mrcc_q3vnt1.F tce_mrcc_q3vnt2.F tce_mrcc_q3fnt2.F tce_mrcc_ccsdpt.F tce_mrcc_ccsdpt_subg.F tce_mrcc_q3vnt1_subg.F tce_mrcc_q3fnt2_subg.F converting tce_mrcc_q3vnt1.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_q3vnt2.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_q3fnt2.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_ccsdpt.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_ccsdpt_subg.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_q3vnt1_subg.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_q3fnt2_subg.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/ccsd_t' Making 32_to_64 in uss make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/uss' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 tce_uss_offdiagonal_1.F tce_uss_offdiagonal_2.F tce_uss_offdiagonal_3.F tce_uss_offdiagonal_4.F ccsd_r3.F ccsd_r4.F tce_uss_aux.F tce_uss_T1_R1.F tce_uss_T2_R2.F converting tce_uss_offdiagonal_1.F to 32-bit integers for BLAS/LAPACK converting tce_uss_offdiagonal_2.F to 32-bit integers for BLAS/LAPACK converting tce_uss_offdiagonal_3.F to 32-bit integers for BLAS/LAPACK converting tce_uss_offdiagonal_4.F to 32-bit integers for BLAS/LAPACK converting ccsd_r3.F to 32-bit integers for BLAS/LAPACK converting ccsd_r4.F to 32-bit integers for BLAS/LAPACK converting tce_uss_aux.F to 32-bit integers for BLAS/LAPACK converting tce_uss_T1_R1.F to 32-bit integers for BLAS/LAPACK converting tce_uss_T2_R2.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc/uss' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 tce_mrcc_energy.F tce_mrcc_readref.F tce_mrcc_calcexcit.F tce_mrcc_sortint.F tce_mrcc_tile.F tce_mrcc_macpy.F tce_mrcc_fillindexarray.F tce_mrcc_uhf.F create_mr_evl_sorted.F pgcreatefile.F tce_mrcc_mo2e.F tce_mrcc_ao2e.F tce_subnxtask.F tce_mrcc_sublock.F eaf_mrcc.F tce_t3ac_offset.F tce_t4ac_offset.F tce_mrcc_refs_sym.F tce_mrcc_force_orben.F tce_mrcc_diis_init.F tce_mrcc_heff.F tce_mrcc_diis.F tce_mrcc_jacobi_t1.F tce_mrcc_jacobi_t2.F tce_mrcc_gacp.F tce_mrcc_daxfile.F tce_mrcc_diis_tidy.F tce_jacobi_sub_t1.F tce_jacobi_sub_t2.F tce_mrcc_c1.F tce_mrcc_c1_offset.F tce_mrcc_c2.F tce_mrcc_c2_offset.F tce_mrcc_mul_1.F tce_mrcc_mul_2.F tce_mrcc_diis_save.F tce_mrcc_diis_new.F tce_mrcc_create_cas1.F new_ga4ind_N5uhf_mrcc_lm2.F converting tce_mrcc_energy.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_readref.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_calcexcit.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_sortint.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_tile.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_macpy.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_fillindexarray.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_uhf.F to 32-bit integers for BLAS/LAPACK converting create_mr_evl_sorted.F to 32-bit integers for BLAS/LAPACK converting pgcreatefile.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_mo2e.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_ao2e.F to 32-bit integers for BLAS/LAPACK converting tce_subnxtask.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_sublock.F to 32-bit integers for BLAS/LAPACK converting eaf_mrcc.F to 32-bit integers for BLAS/LAPACK Could not open file: tce_mrcc_sublock.F.2235044 converting tce_t3ac_offset.F to 32-bit integers for BLAS/LAPACK converting tce_t4ac_offset.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_refs_sym.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_force_orben.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_diis_init.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_heff.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_diis.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_jacobi_t1.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_jacobi_t2.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_gacp.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_daxfile.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_diis_tidy.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_sub_t1.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_sub_t2.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_c1.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_c1_offset.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_c2.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_c2_offset.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_mul_1.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_mul_2.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_diis_save.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_diis_new.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_create_cas1.F to 32-bit integers for BLAS/LAPACK converting new_ga4ind_N5uhf_mrcc_lm2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce/mrcc' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 tce_mbpt2.F tce_residual_t1.F tce_residual_t2.F tce_residual_t3.F tce_residual_t4.F tce_residual_t3a.F tce_ao2e.F tce_mo2e.F tce_guess_t1.F tce_mod1.F tce_eom_xdiagon.F dscalfile.F tce_eom_ydiagon.F tce_ao1e.F tce_aod1.F tce_mo1e.F tce_mo2e_zones_4a_disk_ga.F tce_mo2e_zones_4a_disk_ga_chop.F tce_mo2e_zones_4a_disk_4s_new_patch.F tce_mo2e_zones_4a_disk_2s_new.F tce_mo2e_zones_4a_disk_4s_new_patch_m2.F tce_mo2e_2emet3.F tce_mo2e_2emet3_n5.F tce_mo2e_2emet4.F tce_mo2e_2emet4_n5.F tce_mo2e_disk_2eorb.F tce_mo2e_incore_2eorb.F tce_mo2e_incore_2eorb_split.F tce_mo2e_hybrid_2eorb_split.F tce_diagnose_t1.F ddotfile.F tce_ao2e_cholesky.F tce_energy.F ccsd_lr_alpha.F tensor_read_write.F tce_diis_act.F tce_mo2e_zones_4a_disk_ga_act.F tce_mo2e_zones_4a_disk_ga_chop_act.F ccsd_qr_beta.F daxpyfile.F tce_ao2e_cholesky_orb.F tce_ao2e_disk.F tce_ao2e_new.F tce_dgeev.F tce_mo2e_disk.F tce_mo2e_new.F tce_mo2e_zones_4a_disk_4s_new_patch_m3.F tce_mo2e_zones_4a_disk_ga_N5.F tce_mo2e_zones_4a_disk_ga_chop_N5.F tce_mod1_new.F new_ga4ind_N5.F new4ind_N5_osu.F tce_read_t.F converting tce_mbpt2.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t1.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t2.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t3.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t4.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t3a.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e.F to 32-bit integers for BLAS/LAPACK converting tce_guess_t1.F to 32-bit integers for BLAS/LAPACK converting tce_mod1.F to 32-bit integers for BLAS/LAPACK converting tce_eom_xdiagon.F to 32-bit integers for BLAS/LAPACK converting dscalfile.F to 32-bit integers for BLAS/LAPACK converting tce_eom_ydiagon.F to 32-bit integers for BLAS/LAPACK converting tce_ao1e.F to 32-bit integers for BLAS/LAPACK converting tce_aod1.F to 32-bit integers for BLAS/LAPACK converting tce_mo1e.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_chop.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_4s_new_patch.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_2s_new.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_4s_new_patch_m2.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_2emet3.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_2emet3_n5.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_2emet4.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_2emet4_n5.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_disk_2eorb.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_incore_2eorb.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_incore_2eorb_split.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_hybrid_2eorb_split.F to 32-bit integers for BLAS/LAPACK converting tce_diagnose_t1.F to 32-bit integers for BLAS/LAPACK converting ddotfile.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e_cholesky.F to 32-bit integers for BLAS/LAPACK converting tce_energy.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_alpha.F to 32-bit integers for BLAS/LAPACK converting tensor_read_write.F to 32-bit integers for BLAS/LAPACK converting tce_diis_act.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_act.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_chop_act.F to 32-bit integers for BLAS/LAPACK converting ccsd_qr_beta.F to 32-bit integers for BLAS/LAPACK converting daxpyfile.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e_cholesky_orb.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e_disk.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e_new.F to 32-bit integers for BLAS/LAPACK converting tce_dgeev.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_disk.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_new.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_4s_new_patch_m3.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_N5.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_chop_N5.F to 32-bit integers for BLAS/LAPACK converting tce_mod1_new.F to 32-bit integers for BLAS/LAPACK converting new_ga4ind_N5.F to 32-bit integers for BLAS/LAPACK converting new4ind_N5_osu.F to 32-bit integers for BLAS/LAPACK converting tce_read_t.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/tce' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/bq' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 bq_input.F converting bq_input.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/bq' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mm' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 mm_input.F mm_bond.F mm_bond_coords.F mm_data.F mm_geom.F mm_link.F mm_vdw.F mm_vdw_coords.F converting mm_input.F to 32-bit integers for BLAS/LAPACK converting mm_bond.F to 32-bit integers for BLAS/LAPACK converting mm_bond_coords.F to 32-bit integers for BLAS/LAPACK converting mm_data.F to 32-bit integers for BLAS/LAPACK converting mm_geom.F to 32-bit integers for BLAS/LAPACK converting mm_link.F to 32-bit integers for BLAS/LAPACK converting mm_vdw.F to 32-bit integers for BLAS/LAPACK converting mm_vdw_coords.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/mm' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cons' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 cons_data.F converting cons_data.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/cons' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/perfm' /build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/perfm' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dntmc' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 gibbs.F converting gibbs.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dntmc' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dangchang' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dangchang' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ccca' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/ccca' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dimqm' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 qmr_real.F dimqm_main.F CubicSpline.F dim_elfcon.F dim_elfder.F dim_tabcd.F qmr_complex.F qmr_seed_complex.F qmr_seed_real.F seeded_qmr_complex.F seeded_qmr_real.F seeded_qmr_real_augment.F converting qmr_real.F to 32-bit integers for BLAS/LAPACK converting dimqm_main.F to 32-bit integers for BLAS/LAPACK converting CubicSpline.F to 32-bit integers for BLAS/LAPACK converting dim_elfcon.F to 32-bit integers for BLAS/LAPACK converting dim_elfder.F to 32-bit integers for BLAS/LAPACK converting dim_tabcd.F to 32-bit integers for BLAS/LAPACK converting qmr_complex.F to 32-bit integers for BLAS/LAPACK converting qmr_seed_complex.F to 32-bit integers for BLAS/LAPACK converting qmr_seed_real.F to 32-bit integers for BLAS/LAPACK converting seeded_qmr_complex.F to 32-bit integers for BLAS/LAPACK converting seeded_qmr_real.F to 32-bit integers for BLAS/LAPACK converting seeded_qmr_real_augment.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/dimqm' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fcidump' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/fcidump' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/gwmol' /build/reproducible-path/nwchem-7.2.2/build-mpich/src/config/32_to_64 gw_init.F gw_vxc.F gw_ri_init.F gw_invdiag.F ga_chol_inv_seq.F gw_tools.F gw_minres.F cs_minres_qlp.F gw_cdgw.F gw_cdgw_buildiw.F gw_cdgw_buildrn_minres.F gw_cdgw_buildpi.F gw_cdgw_buildrn_graph.F gw_analytic.F gw_analytic_rpa.F converting gw_init.F to 32-bit integers for BLAS/LAPACK converting gw_vxc.F to 32-bit integers for BLAS/LAPACK converting gw_ri_init.F to 32-bit integers for BLAS/LAPACK converting gw_invdiag.F to 32-bit integers for BLAS/LAPACK converting ga_chol_inv_seq.F to 32-bit integers for BLAS/LAPACK converting gw_tools.F to 32-bit integers for BLAS/LAPACK converting gw_minres.F to 32-bit integers for BLAS/LAPACK converting cs_minres_qlp.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw_buildiw.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw_buildrn_minres.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw_buildpi.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw_buildrn_graph.F to 32-bit integers for BLAS/LAPACK converting gw_analytic.F to 32-bit integers for BLAS/LAPACK converting gw_analytic_rpa.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/gwmol' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:300: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:300: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:300: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:300: warning: ignoring old recipe for target '32_to_64' No blas conversion done here make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src/64to32blas' touch 32_to_64 make[2]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-mpich/src' building nwchem against openmpi using LIBMPI=-L/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran -L/usr/lib/aarch64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** make -C config -f make_nwchem_config NWCHEM_MODULES=""pnnl"" make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config' echo \# This configuration generated automatically on \ `hostname` at `date` > nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG cp census.skeleton ../stubs.F cp util_module_avail_F.begin ../util/util_module_avail.F for routine in argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input; do \ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F echo "# Request modules from user: pnnl" >> nwchem_config.h for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done echo "# Request modules from user: pnnl" >> NWCHEM_CONFIG echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol" >> nwchem_config.h echo The following subdirectories are built: >> NWCHEM_CONFIG cat util_module_avail_F.end >> ../util/util_module_avail.F echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lfcidump -lgwmol" >> nwchem_config.h echo NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf >> NWCHEM_CONFIG echo "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb" >> nwchem_config.h echo corresponding to these libraries: >> NWCHEM_CONFIG echo "CONFIG_LIBS = " >> nwchem_config.h echo -lnwints -lanalyze -lguess -lbq -lcafe -lccca -lccsd -lcons -lcphf -ldangchang -lddscf -ldimqm -ldntmc -ldplot -ldrdy -ldriver -lesp -letrans -lfcidump -lpfft -lgradients -lgwmol -lhessian -lmcscf -lmm -lmoints -lmp2 -lnwdft -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -loptim -lperfm -lprepar -lproperty -lnwpython -lqhop -lqmd -lqmmm -lrimp2 -lselci -lsolvation -lspace -lstepper -lnwcutil -ltce -lvib -lvscf >> NWCHEM_CONFIG echo >> NWCHEM_CONFIG echo The following directories are excluded from the build: >> NWCHEM_CONFIG echo develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb >> NWCHEM_CONFIG echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG echo argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input >> NWCHEM_CONFIG echo "No extra configuration libraries were added " >> NWCHEM_CONFIG make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** make -C config -f make_nwchem_config NWCHEM_MODULES=""pnnl"" make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config' echo \# This configuration generated automatically on \ `hostname` at `date` > nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG cp census.skeleton ../stubs.F cp util_module_avail_F.begin ../util/util_module_avail.F for routine in argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input; do \ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done echo "# Request modules from user: pnnl" >> nwchem_config.h echo "# Request modules from user: pnnl" >> NWCHEM_CONFIG echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol" >> nwchem_config.h echo The following subdirectories are built: >> NWCHEM_CONFIG cat util_module_avail_F.end >> ../util/util_module_avail.F echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lfcidump -lgwmol" >> nwchem_config.h echo NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf >> NWCHEM_CONFIG echo "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb" >> nwchem_config.h echo corresponding to these libraries: >> NWCHEM_CONFIG echo "CONFIG_LIBS = " >> nwchem_config.h echo -lnwints -lanalyze -lguess -lbq -lcafe -lccca -lccsd -lcons -lcphf -ldangchang -lddscf -ldimqm -ldntmc -ldplot -ldrdy -ldriver -lesp -letrans -lfcidump -lpfft -lgradients -lgwmol -lhessian -lmcscf -lmm -lmoints -lmp2 -lnwdft -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -loptim -lperfm -lprepar -lproperty -lnwpython -lqhop -lqmd -lqmmm -lrimp2 -lselci -lsolvation -lspace -lstepper -lnwcutil -ltce -lvib -lvscf >> NWCHEM_CONFIG echo >> NWCHEM_CONFIG echo The following directories are excluded from the build: >> NWCHEM_CONFIG echo develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb >> NWCHEM_CONFIG echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG echo argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input >> NWCHEM_CONFIG echo "No extra configuration libraries were added " >> NWCHEM_CONFIG make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config' make[2]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src' make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** make[2]: '64_to_32' is up to date. make[2]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src' make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64 || mkdir -p /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64 test -d /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64 || mkdir -p /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64 Making libraries in include ./util/util_nwchem_version.bash make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include' for dir in include basis geom inp input pstat rtdb task symmetry util peigs perfm bq cons NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol 64to32blas; do \ echo Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/$dir ; \ (cd /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/$dir; make include_stamp) ; \ done Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include' Nothing to be done make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/basis make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/basis' ( cd /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config; make /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x ; ) make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config' gcc -g -o /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x depend.c /bin/rm -f depend.o make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p bas.fh basP.fh bas_staticP.fh basdeclsP.fh geobasmapP.fh bas_exndcf.fh bas_exndcf_dec.fh bas_exndcf_sfn.fh bas_ibs.fh bas_ibs_dec.fh bas_ibs_sfn.fh ../NWints/rel/rel_nwc.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/basis' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/geom make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/geom' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p geom.fh geomP.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/geom' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/inp make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/inp' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p inp.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/inp' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/input make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/input' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/input' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/pstat make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/pstat' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p pstat.fh pstat_consts.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/pstat' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rtdb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rtdb' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in hdbm make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rtdb/hdbm' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p hdbm.h /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rtdb/hdbm' cp -p context.h rtdb.h rtdb.fh context.fh rtdb.cray.h /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rtdb' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/task make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/task' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/task' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/symmetry make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/symmetry' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p sym.fh ../NWints/auxil/spcartP.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/symmetry' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/util make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/util' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in md5 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/util/md5' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p checksum.h /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/util/md5' cp -p util.fh itri.fh msgids.fh numerical_constants.fh stdio.fh printlevels.fh bitops.fh bitops_decls.fh bitops_funcs.fh bgj.fh bgj_common.fh nwc_const.fh errquit.fh util_sgroup.fh util_params.fh utilc_nwchem_srcdir.fh util_maxlength.fh util_intsize.fh vtune.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/util' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/peigs make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/peigs' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/peigs' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/perfm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/perfm' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p dist.fh yflop.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/perfm' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/bq make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/bq' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p bq.fh bq_params.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/bq' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cons make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cons' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cons' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in simint make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/simint' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in module make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/simint/module' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/simint/module' Making include_stamp in source make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/simint/source' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/simint/source' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/simint' Making include_stamp in api make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/api' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p int_tim.fh apiP.fh int_nbf.fh ../../property/prop.fh candoP.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/api' Making include_stamp in int make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/int' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p sh_order.fh case.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/int' Making include_stamp in auxil make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/auxil' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p spcartP.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/auxil' Making include_stamp in ints_sp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/ints_sp' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/ints_sp' Making include_stamp in deriv make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/deriv' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p ../int/sh_order.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/deriv' Making include_stamp in texas make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/texas' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p screened_op.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/texas' Making include_stamp in ecp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/ecp' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p ecp_nwc.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/ecp' Making include_stamp in hondo make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/hondo' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p hnd_whermt.fh hnd_rys.fh hnd_tol.fh hnd_pointers.fh hnd_giao.fh hnd_wleg.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/hondo' Making include_stamp in rel make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/rel' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p rel_consts.fh rel_nwc.fh zora.fh modelpotential.fh x2c.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/rel' Making include_stamp in dk make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/dk' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/dk' cp -p api/int_tim.fh api/apiP.fh api/int_nbf.fh auxil/spcartP.fh hondo/hnd_whermt.fh hondo/hnd_rys.fh hondo/hnd_tol.fh ../property/prop.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/atomscf make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/atomscf' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/atomscf' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ddscf make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ddscf' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in fast make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ddscf/fast' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ddscf/fast' cp -p schwarz.fh cscfps.fh cfock.fh cscf.fh cint2efile.fh cfockmul.fh crohf.fh cosmo.fh cuhf.fh frozemb.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ddscf' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/gradients make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/gradients' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/gradients' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/moints make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/moints' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p moints_stats.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/moints' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I./include -I./grid -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in include make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/include' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/include' Making include_stamp in input_dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/input_dft' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/input_dft' Making include_stamp in scf_dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/scf_dft' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p dftps.fh dft_fdist.fh dft_conv.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/scf_dft' Making include_stamp in scf_dft_cg make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/scf_dft_cg' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p ../../ddscf/cosmo.fh ../../ddscf/frozemb.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/scf_dft_cg' Making include_stamp in so_dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/so_dft' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/so_dft' Making include_stamp in coulomb make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/coulomb' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/coulomb' Making include_stamp in xc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/xc' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p xc.fh xc_vdw.fh xc_params.fh xc_hcth.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/xc' Making include_stamp in util make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/util' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/util' Making include_stamp in grid make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/grid' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/grid' Making include_stamp in dftgrad make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/dftgrad' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/dftgrad' Making include_stamp in lr_tddft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/lr_tddft' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/lr_tddft' Making include_stamp in lr_tddft_grad make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/lr_tddft_grad' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/lr_tddft_grad' Making include_stamp in zora make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/zora' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/zora' Making include_stamp in spec make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/spec' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/spec' Making include_stamp in rt_tddft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in matutils make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/matutils' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p matutils.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/matutils' Making include_stamp in rtutils make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/rtutils' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/rtutils' Making include_stamp in input make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/input' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/input' Making include_stamp in init make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/init' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/init' Making include_stamp in canorg make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/canorg' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/canorg' Making include_stamp in propagators make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/propagators' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/propagators' Making include_stamp in closedshell make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/closedshell' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/closedshell' Making include_stamp in openshell make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/openshell' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/openshell' cp -p ./headers/rt_tddft.fh ./headers/matutils.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft' Making include_stamp in libxc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/libxc' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I. -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p libxc.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/libxc' Making include_stamp in x2c make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/x2c' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I../../ddscf -I../grid -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/x2c' cp -p ../ddscf/cosmo.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rimp2 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rimp2' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rimp2' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/stepper make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/stepper' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/stepper' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/driver make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/driver' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/driver' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in deloc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/deloc' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/deloc' Making include_stamp in mepgs make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/mepgs' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/mepgs' Making include_stamp in tropt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/tropt' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/tropt' Making include_stamp in neb make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/neb' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/neb' Making include_stamp in string make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/string' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/string' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cphf make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cphf' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cphf' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ccsd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ccsd' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/vib make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/vib' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/vib' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mcscf make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mcscf' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../ddscf -I./detci -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in detci make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mcscf/detci' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mcscf/detci' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mcscf' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/prepar make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/prepar' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/prepar' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/esp make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/esp' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/esp' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/hessian make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/hessian' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in analytic make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/hessian/analytic' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in dft make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/hessian/analytic/dft' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../../../nwdft/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/hessian/analytic/dft' cp -p hess_info.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/hessian/analytic' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/hessian' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/selci make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/selci' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/selci' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dplot make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dplot' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dplot' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mp2_grad make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mp2_grad' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mp2_grad' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qhop make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qhop' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qhop' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/property make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/property' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p prop.fh atomdata.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/property' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/solvation make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/solvation' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p ../property/prop.fh ../property/atomdata.fh cosmoP.fh cosmo_params.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/solvation' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies USE_OPENMP undefined USE_OPENMP undefined Making include_stamp in nwpwlib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in Parallel make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/Parallel' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p stupid_mpi4.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/Parallel' Making include_stamp in D1dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/D1dB' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/D1dB' Making include_stamp in D3dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/D3dB' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/D3dB' Making include_stamp in Pneb make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/Pneb' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/Pneb' Making include_stamp in K1dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/K1dB' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/K1dB' Making include_stamp in C1dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/C1dB' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/C1dB' Making include_stamp in C3dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/C3dB' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/C3dB' Making include_stamp in DMatrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/DMatrix' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/DMatrix' Making include_stamp in CMatrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/CMatrix' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/CMatrix' Making include_stamp in TMatrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/TMatrix' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/TMatrix' Making include_stamp in control make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/control' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/control' Making include_stamp in lattice make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/lattice' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/lattice' Making include_stamp in io make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/io' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/io' Making include_stamp in ion make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ion' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in shake make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ion/shake' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ion/shake' cp -p ../../nwpwlib/utilities/beom.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ion' Making include_stamp in pseudopotential make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/pseudopotential' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in paw_atom make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/pseudopotential/paw_atom' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/pseudopotential/paw_atom' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/pseudopotential' Making include_stamp in utilities make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/utilities' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in paw_utilities make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/utilities/paw_utilities' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/utilities/paw_utilities' cp -p bafdecls.fh btdb.fh beom.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/utilities' Making include_stamp in unitcell make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/unitcell' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/unitcell' Making include_stamp in brillouin_zone make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/brillouin_zone' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/brillouin_zone' Making include_stamp in fractional make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/fractional' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p frac_occ.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/fractional' Making include_stamp in linesearch make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/linesearch' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/linesearch' Making include_stamp in timing make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/timing' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/timing' Making include_stamp in ewald make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ewald' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ewald' Making include_stamp in thermostats make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/thermostats' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/thermostats' Making include_stamp in MetaDynamics make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/MetaDynamics' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/MetaDynamics' Making include_stamp in TAMD make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/TAMD' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/TAMD' Making include_stamp in FMM make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/FMM' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/FMM' Making include_stamp in md_xs make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/md_xs' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in FEFF6L make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/md_xs/FEFF6L' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/md_xs/FEFF6L' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/md_xs' Making include_stamp in nwpwxc make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/nwpwxc' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p nwpwxc.fh nwpwxc_param.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/nwpwxc' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib' Making include_stamp in libraryps make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/libraryps' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/libraryps' Making include_stamp in pspw make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in lib make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in psi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/psi' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/psi' Making include_stamp in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/electron' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/electron' Making include_stamp in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/ke' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/ke' Making include_stamp in coulomb make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/coulomb' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/coulomb' Making include_stamp in exchange-correlation make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/exchange-correlation' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in vdw-DF make[8]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[8]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/exchange-correlation' Making include_stamp in sic make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/sic' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/sic' Making include_stamp in hfx make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/hfx' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/hfx' Making include_stamp in ion make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/ion' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/ion' Making include_stamp in psp make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/psp' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/psp' Making include_stamp in Grsm_list make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/Grsm_list' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/Grsm_list' Making include_stamp in aorbs make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/aorbs' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/aorbs' Making include_stamp in truncating_function make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/truncating_function' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/truncating_function' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib' Making include_stamp in kbpp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/kbpp' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/kbpp' Making include_stamp in makepsi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/makepsi' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/makepsi' Making include_stamp in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cpsd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cpsd' Making include_stamp in cgsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cgsd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cgsd' Making include_stamp in analysis make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/analysis' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in APC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/analysis/APC' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/analysis/APC' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/analysis' Making include_stamp in cell_optimize make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cell_optimize' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cell_optimize' Making include_stamp in qmmm make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in pspw_LJ make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_LJ' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_LJ' Making include_stamp in pspw_Q make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_Q' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_Q' Making include_stamp in pspw_Pair make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_Pair' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_Pair' Making include_stamp in mmq make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/mmq' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/mmq' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm' Making include_stamp in charge make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/charge' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/charge' Making include_stamp in dplot make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/dplot' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/dplot' Making include_stamp in lcao make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lcao' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lcao' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw' Making include_stamp in paw make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in paw_geometry make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_geometry' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p paw_geom.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_geometry' Making include_stamp in paw_ma make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ma' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p paw_ma.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ma' Making include_stamp in paw_utils make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_utils' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p bessel_transform.fh integrate.fh paw_utils.fh paw_params.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_utils' Making include_stamp in paw_basis make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_basis' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p paw_basis.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_basis' Making include_stamp in paw_proj make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_proj' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p paw_proj.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_proj' Making include_stamp in paw_matrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_matrix' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p paw_comp_charge_matrix.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_matrix' Making include_stamp in paw_ovlp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ovlp' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p paw_ovlp_data.fh paw_ovlp.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ovlp' Making include_stamp in paw_comp_charge make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_comp_charge' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p paw_comp_charge_data.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_comp_charge' Making include_stamp in paw_special_functions make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_special_functions' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p paw_spher_func.fh paw_gamma_function.fh paw_hypergeom.fh paw_double_factorial.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_special_functions' Making include_stamp in paw_gaunt make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_gaunt' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p paw_gaunt.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_gaunt' Making include_stamp in paw_kinetic make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_kinetic' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p paw_energy_kin_atom.fh paw_matrix_kin_data.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_kinetic' Making include_stamp in paw_vloc make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_vloc' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p paw_energy_vloc_atom.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_vloc' Making include_stamp in paw_ion_potential make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ion_potential' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p paw_energy_ion_atom.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ion_potential' Making include_stamp in paw_core make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_core' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p paw_energy_core_atom.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_core' Making include_stamp in paw_hartree make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_hartree' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p paw_energy_hartree_atom.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_hartree' Making include_stamp in paw_comp_pot make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_comp_pot' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p paw_matrix_comp_pot.fh paw_pot_comp_data.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_comp_pot' Making include_stamp in paw_mult make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_mult' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p paw_mult_data.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_mult' Making include_stamp in paw_nonlocal make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_nonlocal' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_nonlocal' Making include_stamp in paw_density make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_density' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_density' Making include_stamp in paw_xc make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_xc' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p paw_xc.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_xc' Making include_stamp in paw_force make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_force' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p paw_force_data.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_force' Making include_stamp in paw_Grsm_list make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_Grsm_list' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_Grsm_list' Making include_stamp in paw_psi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_psi' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_psi' Making include_stamp in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cpsd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cpsd' Making include_stamp in cgsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cgsd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cgsd' Making include_stamp in cell_optimize make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cell_optimize' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cell_optimize' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw' Making include_stamp in band make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in minimizer make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/minimizer' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/minimizer' Making include_stamp in structure make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/structure' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/structure' Making include_stamp in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/cpsd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/cpsd' Making include_stamp in cell_optimize make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/cell_optimize' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/cell_optimize' Making include_stamp in kbpp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/kbpp' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/kbpp' Making include_stamp in makepsi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/makepsi' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/makepsi' Making include_stamp in lib make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in cpsp make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/cpsp' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/cpsp' Making include_stamp in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/ke' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/ke' Making include_stamp in coulomb make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/coulomb' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/coulomb' Making include_stamp in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/electron' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/electron' Making include_stamp in psi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/psi' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/psi' Making include_stamp in hfx make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/hfx' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/hfx' Making include_stamp in Grsm_list make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/Grsm_list' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/Grsm_list' Making include_stamp in borbs make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/borbs' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/borbs' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib' Making include_stamp in dplot make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/dplot' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/dplot' Making include_stamp in analysis make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/analysis' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in APC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/analysis/APC' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/analysis/APC' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/analysis' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band' Making include_stamp in ofpw make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in minimizer make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/minimizer' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/minimizer' Making include_stamp in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/cpsd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/cpsd' Making include_stamp in lib make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in chi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/chi' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/chi' Making include_stamp in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/electron' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/electron' Making include_stamp in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/ke' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/ke' Making include_stamp in WGC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/WGC' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/WGC' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in pfft1.0 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfft1.0' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in fftpack make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfft1.0/fftpack' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfft1.0/fftpack' Making include_stamp in pfft make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfft1.0/pfft' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfft1.0/pfft' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfft1.0' Making include_stamp in pfftwrap make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfftwrap' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfftwrap' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/python make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/python' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/include/python3.11 -I/usr/include/python3.11 -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/python' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/analyz make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/analyz' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/analyz' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwmd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwmd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p nwmd_constants.fh md_common.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwmd' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cafe make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cafe' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cafe' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/space make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/space' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/space' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/drdy make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/drdy' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/drdy' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/vscf make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/vscf' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/vscf' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qmmm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qmmm' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qmmm' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qmd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qmd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p ../util/util_params.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qmd' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/etrans make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/etrans' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/etrans' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I./include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in include make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/include' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/include' Making include_stamp in diis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/diis' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/diis' Making include_stamp in diis2 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/diis2' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/diis2' Making include_stamp in gradients make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/gradients' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/gradients' Making include_stamp in ccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd' Making include_stamp in ccsd_lambda make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_lambda' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_lambda' Making include_stamp in eomccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsd' Making include_stamp in ccsd_t make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_t' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_t' Making include_stamp in cr-eomccsd_t make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cr-eomccsd_t' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cr-eomccsd_t' Making include_stamp in lrh make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lrh' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lrh' Making include_stamp in emb make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/emb' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/emb' Making include_stamp in ccd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccd' Making include_stamp in lccd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lccd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lccd' Making include_stamp in lccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lccsd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lccsd' Making include_stamp in qcisd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/qcisd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/qcisd' Making include_stamp in cc3 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cc3' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cc3' Making include_stamp in mbpt1 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt1' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt1' Making include_stamp in mbpt2 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt2' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt2' Making include_stamp in mbpt3 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt3' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt3' Making include_stamp in mbpt4 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt4' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt4' Making include_stamp in cis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cis' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cis' Making include_stamp in cisd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisd' Making include_stamp in cisdt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisdt' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisdt' Making include_stamp in cisdtq make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisdtq' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisdtq' Making include_stamp in ccsd_act make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_act' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_act' Making include_stamp in eomccsd_act make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsd_act' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsd_act' Making include_stamp in cr_eomccsd_t_act make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cr_eomccsd_t_act' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cr_eomccsd_t_act' Making include_stamp in sort make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/sort' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/sort' Making include_stamp in ducc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ducc' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ducc' Making include_stamp in ucc4 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ucc4' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ucc4' Making include_stamp in eaccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eaccsd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eaccsd' Making include_stamp in ipccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ipccsd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ipccsd' Making include_stamp in ccsdt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsdt' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsdt' Making include_stamp in ccsdt_lambda make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsdt_lambda' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsdt_lambda' Making include_stamp in eomccsdt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsdt' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsdt' Making include_stamp in ccsd_alpha make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_alpha' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_alpha' Making include_stamp in ccsd_beta make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_beta' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_beta' Making include_stamp in ccsd_yr make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_yr' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_yr' Making include_stamp in response make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/response' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/response' Making include_stamp in mrcc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../include -I./include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Making include_stamp in include make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/include' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/include' Making include_stamp in ccsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../../include -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd' Making include_stamp in ccsd_sub make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd_sub' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../../include -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd_sub' Making include_stamp in ccsd_t make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd_t' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../../include -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd_t' Making include_stamp in uss make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/uss' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../../include -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/uss' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/bq make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/bq' make[4]: 'include_stamp' is up to date. make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/bq' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mm' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p mm.fh mm_params.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mm' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cons make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cons' make[4]: 'include_stamp' is up to date. make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cons' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/perfm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/perfm' make[4]: 'include_stamp' is up to date. make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/perfm' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dntmc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dntmc' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dntmc' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dangchang make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dangchang' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dangchang' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ccca make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ccca' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../basis -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ccca' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dimqm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dimqm' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I../util -I../nwdft/grid -I../NWints/hondo -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p dimqm.fh dimqm_constants.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dimqm' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fcidump make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fcidump' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fcidump' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/gwmol make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/gwmol' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I./ -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies cp -p ../nwdft/include/cdft.fh ../nwdft/grid/cgridfile.fh /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/gwmol' Making include_stamp in /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/64to32blas make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:300: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:300: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:300: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:300: warning: ignoring old recipe for target '32_to_64' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:300: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:300: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:300: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:300: warning: ignoring old recipe for target '32_to_64' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/64to32blas' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include' Making libraries in basis make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/basis' Compiling basis.F... Compiling bas_input.F... Compiling bas_contrib.F... Compiling bas_checksum.F... basis.F:2081:62: 2057 | status = status .and. rtdb_put(rtdb,tmp,mt_int,1,ntagsin) | 2 ...... 2081 | status = status .and. rtdb_put(rtdb,tmp,mt_dbl,nexcf,excfin(1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). basis.F:1125:39: 1125 | & rtdb, tmp, mt_dbl, nexcf, dbl_mb(mb_exndcf(1,basis))) | 1 ...... 2722 | if (rtdb_get(rtdb, 'basis:nbasis', MT_INT, 1, nbasis_rtdb)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). bas_checksum.F:45:43: 44 | call checksum_update(ltob, bas_spherical(basis)) | 2 45 | call checksum_update(itob*ndbs_head, infbs_head(1,basis)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling basisP.F... Compiling bas_blas.F... basisP.F:427:72: 427 | end | ^ Warning: '__result_nbf_from_ucont' may be used uninitialized [-Wmaybe-uninitialized] basisP.F:380:37: 380 | integer function nbf_from_ucont(ucont,basisin) | ^ note: '__result_nbf_from_ucont' was declared here Compiling bas_blasP.F... Compiling bas_vec_info.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/basis' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a basis.o bas_input.o bas_contrib.o bas_checksum.o basisP.o bas_blas.o bas_blasP.o bas_vec_info.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/basis' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/basis' Making libraries in geom make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/geom' Compiling geom.F... Compiling geom_input.F... Compiling geom_input2.F... Compiling geom_3d.F... geom.F:1105:11: 1101 | s = s .and. rtdb_put(rtdb, tmp, mt_int, 1, ncenter(geom)) | 2 ...... 1105 | $ coords(1,1,geom)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). geom.F:602:11: 357 | if (rtdb_get(rtdb, 'geometry:ngeom', mt_int, 1, ngeom_rtdb)) | 2 ...... 602 | $ coords(1,1,geom)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). geom.F:2406:30: 2406 | geom_isbq = inp_compare(0,tag,'bq') | 1 ...... 3409 | if (inp_compare(.false.,buf(1:4),elements(ind)(1:4))) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). geom_input.F:361:57: 249 | if (.not. rtdb_put(rtdb, 'prop:ofinite',mt_log,1,ofinite)) | 2 ...... 361 | if (.not.rtdb_put(rtdb,'geom:istart',MT_INT,1,istart)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). geom_input.F:746:11: 706 | if (rtdb_get(rtdb, 'qcharge', MT_DBL, 1, qcharge)) then | 2 ...... 746 | D dont_verifygeom)) dont_verifygeom=.false. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling geom_2d.F... Compiling geom_1d.F... Compiling geom_numcore.F... geom_numcore.F:106:51: 99 | if(rtdb_get(rtdb, key, mt_int, 1, num_elem)) then | 2 ...... 106 | if(rtdb_get(rtdb, key, mt_int, num_elem, tagfrz)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) geom_numcore.F:111:54: 99 | if(rtdb_get(rtdb, key, mt_int, 1, num_elem)) then | 2 ...... 111 | if(rtdb_get(rtdb, key, mt_int, num_elem, numfrz)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling geom_checksum.F... geom_input.F:4586:12: 4586 | IF(ATOMIC) WRITE(IW,*) 'THIS IS AN ATOM' | ^ Warning: 'atomic' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:4448:24: 4448 | LOGICAL ATOMIC | ^ note: 'atomic' was declared here geom_input.F:4587:12: 4587 | IF(LINEAR) WRITE(IW,*) 'THIS IS A LINEAR MOLECULE' | ^ Warning: 'linear' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:4449:24: 4449 | LOGICAL LINEAR | ^ note: 'linear' was declared here geom_input.F:4483:25: 4483 | integer kaxis,jaxis,isteps,istep,iordr,iaxis | ^ Warning: 'jaxis' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:5155:72: 5155 | DZ=C2(K,IAT)-C2(K,JAT) | ^ Warning: 'k' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:4482:19: 4482 | integer kat,k,JJC4,JJS4,jjc2,j,i | ^ note: 'k' was declared here Compiling geom_print_ecce.F... Compiling geom_freeze.F... geom_freeze.F:54:49: 50 | if (rtdb_get(rtdb, a_name , MT_LOG, 1, status)) then | 2 ...... 54 | else if (rtdb_get(rtdb, c_name, MT_INT, 1, ncore)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling geom_fragment.F... Compiling geom_getsym.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/geom' geom_getsym.F:87:16: 87 | if (ncenter_before_auto .gt. ncenter) call errquit | ^ Warning: 'ncenter_before_auto' may be used uninitialized [-Wmaybe-uninitialized] geom_getsym.F:27:33: 27 | integer ncenter_before_auto | ^ note: 'ncenter_before_auto' was declared here geom_input.F:4125:72: 4125 | return | ^ Warning: '__result_geom_lst_get_coord' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:4058:41: 4058 | logical function geom_lst_get_coord(x,y,z,n,irc) | ^ note: '__result_geom_lst_get_coord' was declared here geom_input.F:2866:72: 2866 | gamma = sign(gamma,aijkl) | ^ Warning: 'aijkl' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:2751:39: 2751 | double precision rij, aijk, aijkl, angs_to_au, pi, deg_to_rad | ^ note: 'aijkl' was declared here geom_input.F:2902:72: 2902 | alpha = (cos(aijl) - d*cos(aijk)) / (1d0-d*d) | ^ Warning: 'aijl' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:2753:54: 2753 | double precision dkj, dkl, djk, djl, dklkj, aijl, djkl | ^ note: 'aijl' was declared here geom_input.F:2750:44: 2750 | integer iadd, itype, izvar, i, j, k, l, ind, iat, orient | ^ Warning: 'l' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:2906:16: 2906 | if (orient .lt. 0) gamma = -gamma | ^ Warning: 'orient' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:2750:62: 2750 | integer iadd, itype, izvar, i, j, k, l, ind, iat, orient | ^ note: 'orient' was declared here geom_input.F:6722:72: 6722 | BETA=PT5*ALPH | ^ Warning: 'alph' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:6281:38: 6281 | double precision beta,alpha,alph | ^ note: 'alph' was declared here geom_input.F:6282:34: 6282 | integer n1,n2,n,itr,it,nn,ii | ^ Warning: 'ii' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:7080:10: 7080 | if (err .gt. err1) then | ^ Warning: 'err1' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:6954:27: 6954 | double precision err1, xmax, xmax1 | ^ note: 'err1' was declared here geom_input.F:7083:72: 7083 | call sym_geom_project(geom, max(0.1d0*xmax1,1d-6)) | ^ Warning: 'xmax1' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:6954:40: 6954 | double precision err1, xmax, xmax1 | ^ note: 'xmax1' was declared here Compiling geom_hnd.F... geom_hnd.F:4628:12: 4627 | 120 DO 260 NR=1,N2 | 2 4628 | IK=IA(NR+1)+NR | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) geom_hnd.F:5062:40: 5062 | 20 if (parallel) call ga_brdcst(323, status, | 1 ...... 5141 | if (parallel) call ga_brdcst(32, a, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/geom' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/geom' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a geom.o geom_input.o geom_input2.o geom_3d.o geom_2d.o geom_1d.o geom_numcore.o geom_checksum.o geom_print_ecce.o geom_freeze.o geom_fragment.o geom_getsym.o geom_hnd.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/geom' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/geom' Making libraries in inp make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/inp' Compiling c_inp.c... Compiling hnd_rdfree.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/inp' Compiling inp.F... inp.F:27:19: 27 | data xback /'\\'/ ! Backslash ... note backslash for cpp | 1 Warning: Initialization string at (1) was truncated to fit the variable (1/2) inp.F:1370:37: 1369 | do i = 1, 3*max_width+80+6 | 2 1370 | csave(i,save_level) = cdata(i) | 1 Warning: Array reference at (1) out of bounds (3158 > 1) in loop beginning at (2) inp.F:1373:37: 1372 | do i = 1, 9+4*max_field | 2 1373 | isave(i,save_level) = idata(i) | 1 Warning: Array reference at (1) out of bounds (2061 > 1) in loop beginning at (2) inp.F:1407:15: 1406 | do i = 1, 3*max_width+80+6 | 2 1407 | cdata(i) = csave(i,save_level) | 1 Warning: Array reference at (1) out of bounds (3158 > 1) in loop beginning at (2) inp.F:1410:15: 1409 | do i = 1, 9+4*max_field | 2 1410 | idata(i) = isave(i,save_level) | 1 Warning: Array reference at (1) out of bounds (2061 > 1) in loop beginning at (2) Compiling inp_irange.F... Compiling inp_ilist.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/inp' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/inp' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a c_inp.o hnd_rdfree.o inp.o inp_irange.o inp_ilist.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/inp' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/inp' Making libraries in input make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/input' Compiling input_parse.F... Compiling input_mem.F... input_mem.F:66:33: 63 | call brdcst(Msg_HeapMem, heap_size, mitob1, 0) | 2 ...... 66 | call brdcst(Msg_StkMem, overify, mitob1, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling memory_input.F... Compiling input_set.F... input_set.F:173:12: 170 | $ int_mb(i_values)) | 2 ...... 173 | $ dbl_mb(i_values)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). input_set.F:153:21: 153 | if (.not. status) call errquit | ^ Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] input_set.F:17:20: 17 | logical status ! accumulates return codes | ^ note: 'status' was declared here Compiling input_title.F... Compiling get_inp_file.F... Compiling memory_def.F... Compiling speech_input.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/input' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwctask.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwctask.a input_parse.o input_mem.o memory_input.o input_set.o input_title.o get_inp_file.o memory_def.o speech_input.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwctask.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwctask.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwctask.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/input' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/input' Making libraries in pstat make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/pstat' Compiling pstat_init.F... Compiling pstat_term.F... Compiling pstat_alloc.F... Compiling pstat_on.F... Compiling pstat_off.F... Compiling pstat_pr_all.F... Compiling pstat_free.F... Compiling pstat_pr_han.F... Compiling pstat_pr_det.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/pstat' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a pstat_init.o pstat_term.o pstat_alloc.o pstat_on.o pstat_off.o pstat_pr_all.o pstat_free.o pstat_pr_han.o pstat_pr_det.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/pstat' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/pstat' Making libraries in rtdb make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rtdb' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rtdb' Making all in hdbm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rtdb/hdbm' Compiling rtdb_f2c.c... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rtdb/hdbm' Compiling rtdb.c... rtdb.c: In function 'rtdb_broadcast': rtdb.c:91:11: warning: unused variable 'type' [-Wunused-variable] 91 | Integer type = msg_type; | ^~~~ rtdb.c: At top level: rtdb.c:179:25: warning: argument 2 of type 'char *' declared as a pointer [-Warray-parameter=] 179 | char* fname) | ~~~~~~^~~~~ In file included from rtdb.c:4: rtdb.h:145:38: note: previously declared as an array 'char[36]' 145 | extern int rtdb_getfname(const int, char [36]); | ^~~~~~~~~ rtdb.c: In function 'rtdb_getfname': rtdb.c:219:10: warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] 219 | return status; | ^~~~~~ rtdb.c:181:7: note: 'status' declared here 181 | int status; | ^~~~~~ rtdb.c: In function 'rtdb_get': rtdb.c:376:10: warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] 376 | return status; | ^~~~~~ rtdb.c:337:7: note: 'status' declared here 337 | int status; | ^~~~~~ rtdb.c: In function 'rtdb_get_info': rtdb.c:419:10: warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] 419 | return status; | ^~~~~~ rtdb.c:382:7: note: 'status' declared here 382 | int status; | ^~~~~~ rtdb.c: In function 'rtdb_ma_get': rtdb.c:500:10: warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] 500 | return status; | ^~~~~~ rtdb.c:442:7: note: 'status' declared here 442 | int status; | ^~~~~~ rtdb.c: In function 'rtdb_first': rtdb.c:543:10: warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] 543 | return status; | ^~~~~~ rtdb.c:505:7: note: 'status' declared here 505 | int status; | ^~~~~~ rtdb.c: In function 'rtdb_next': rtdb.c:587:10: warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] 587 | return status; | ^~~~~~ rtdb.c:548:7: note: 'status' declared here 548 | int status; | ^~~~~~ Compiling rtdb_seq.c... rtdb_seq.c: In function 'ma_print': rtdb_seq.c:137:33: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 137 | nprint += fprintf(file, "%d ", ((Integer *) p)[i]); | ~^ ~~~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld rtdb_seq.c: At top level: rtdb_seq.c:1192:25: warning: argument 2 of type 'char *' declared as a pointer [-Warray-parameter=] 1192 | char* fname) | ~~~~~~^~~~~ In file included from rtdb_seq.c:42: rtdb.h:166:42: note: previously declared as an array 'char[36]' 166 | extern int rtdb_seq_getfname(const int, char [36]); | ^~~~~~~~~ Compiling context.c... context.c:135:13: warning: 'context_print' defined but not used [-Wunused-function] 135 | static void context_print() | ^~~~~~~~~~~~~ Compiling context_f2c.c... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rtdb' Compiling hdbm.c... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rtdb/hdbm' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rtdb/hdbm' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a hdbm.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rtdb/hdbm' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rtdb/hdbm' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rtdb' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a rtdb_f2c.o rtdb.o rtdb_seq.o context.o context_f2c.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rtdb' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rtdb' Making libraries in task make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/task' Compiling task_energy.F... task_energy.F:284:59: 281 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 284 | if (.not.rtdb_get(rtdb,'dft:which_mp2',mt_int,1,which_mp2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_energy.F:68:57: 68 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 1 ...... 467 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_energy.F:151:57: 151 | if (.not. rtdb_put(rtdb, 'task:energy', mt_dbl, 1, energy)) | 1 ...... 467 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_energy.F:160:58: 160 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 ...... 467 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_energy.F:163:59: 163 | if (.not. rtdb_put(rtdb, 'task:walltime', mt_dbl, 1, wall)) | 1 ...... 467 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling task_gradient.F... task_gradient.F:560:50: 320 | $ numerical)) numerical = .false. | 2 ...... 560 | if (.not. rtdb_get(rtdb, key, mt_dbl, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). task_gradient.F:66:57: 66 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 1 ...... 567 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl,3,dipole(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling task_optimize.F... task_optimize.F:160:63: 123 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 160 | if (.not. rtdb_put(rtdb,'driver:modsad',mt_int, 1, 0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling task_freq.F... task_freq.F:131:58: 63 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 131 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_hessian.F... task_hessian.F:246:53: 180 | if (.not. rtdb_get(rtdb,'bsse',mt_log,1,task_bsse)) | 2 ...... 246 | if (.not.rtdb_get(rtdb,'xtb:verb',mt_int,1,verb)) verb=1 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_hessian.F:247:53: 184 | if (.not. rtdb_put(rtdb,'bsse',mt_log,1,.false.)) | 2 ...... 247 | if (.not.rtdb_put(rtdb,'xtb:verb',mt_int,1,0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_hessian.F:302:72: 302 | end | ^ Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] task_hessian.F:166:20: 166 | logical status, ignore, numerical, analytic | ^ note: 'status' was declared here Compiling task_dynamics.F... task_dynamics.F:94:61: 68 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 94 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_thermo.F... task_thermo.F:80:61: 59 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 80 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_et.F... task_et.F:46:57: 40 | if (.not. rtdb_put(rtdb, 'task:et', mt_dbl, 1, Vba)) | 2 ...... 46 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, status)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling task_save_state.F... Compiling task.F... task.F:180:50: 180 | if (rtdb_get(rtdb, 'task:debug', mt_log, 1, odebug)) | 1 ...... 582 | if (.not.rtdb_get(rtdb,'task:shell range',mt_int,3,range)) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling task_input.F... Compiling task_shell_input.F... Compiling task_num_grad.F... task_num_grad.F:285:52: 185 | if (.not.rtdb_get(rtdb,'gradient:usegroups',MT_LOG,1,use_groups)) | 2 ...... 285 | if (.not. rtdb_get(rtdb, ename, mt_dbl, 1, eref)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). task_num_grad.F:506:58: 467 | if (.not. rtdb_put(rtdb, gname, mt_dbl, natoms3, dbl_mb(k_grad))) | 2 ...... 506 | if (.not. rtdb_put(rtdb,'scf:converged',mt_log,1,.false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling task_vscf.F... task_vscf.F:98:52: 72 | if (.not. rtdb_get(rtdb,'vscf:freq_done',mt_log,1,freq_done)) | 2 ...... 98 | if (.not. rtdb_get(rtdb,'vscf:ngrid',mt_int,1,ngrid)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_vscf.F:156:58: 58 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 156 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_property.F... Compiling task_dntmc.F... task_dntmc.F:77:61: 61 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 77 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_bsse.F... task_bsse.F:452:51: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 452 | if (.not. rtdb_put(rtdb,'charge',mt_dbl,1,charge)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). task_bsse.F:587:49: 424 | if (.not. rtdb_get(rtdb,'bsse:first_j',mt_log,1,first_j)) | 2 ...... 587 | if (.not.rtdb_get( rtdb, ctmp, mt_int, 1, natoms)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_bsse.F:550:53: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 550 | if (.not. rtdb_put( rtdb, ctmp, mt_int, nmon, mon_atm )) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_bsse.F:554:62: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 554 | if (.not. rtdb_put( rtdb, ctmp, mt_int,mx_atm*mx_atm, mon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) task_bsse.F:562:53: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 562 | if (.not. rtdb_put( rtdb, ctmp, mt_int ,nmon, mmon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling task_jefftce.F... Compiling task_ncc.F... Compiling task_rfcf.F... task_rfcf.F:117:61: 80 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 117 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). task_bsse.F:1586:72: 1586 | & j_mon_name(1:lenname) | ^ Warning: 'lenhess' may be used uninitialized [-Wmaybe-uninitialized] task_bsse.F:1419:21: 1419 | integer lenhess | ^ note: 'lenhess' was declared here Compiling task_gwmol.F... task_gwmol.F:82:53: 74 | if (rtdb_get(rtdb, 'dft:rodft', mt_log, 1, rodft)) | 2 ...... 82 | if (.not.rtdb_get(rtdb, 'dft:ipol', mt_int, 1, ipol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_gwmol.F:131:58: 41 | if (.not. rtdb_put( rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 131 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cputime)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/task' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwctask.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwctask.a task_energy.o task_gradient.o task_optimize.o task_freq.o task_hessian.o task_dynamics.o task_thermo.o task_et.o task_save_state.o task.o task_input.o task_shell_input.o task_num_grad.o task_vscf.o task_property.o task_dntmc.o task_bsse.o task_jefftce.o task_ncc.o task_rfcf.o task_gwmol.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwctask.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwctask.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/task' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/task' Making libraries in symmetry make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/symmetry' Compiling dosymops.F... Compiling gensym.f... gensym.f:314:13: 314 | isym=nops*3 | ^ Warning: 'isym' may be used uninitialized [-Wmaybe-uninitialized] Compiling gensym_extra.F... gensym_extra.F:59:10: 59 | if (lgth.gt.0) then | ^ Warning: 'lgth' is used uninitialized [-Wuninitialized] gensym_extra.F:32:22: 32 | integer iop,lgth,unitf,print_level,i,j | ^ note: 'lgth' was declared here Compiling sym_vec_sym.F... sym_vec_sym.F:99:36: 99 | integer isphcart, i_nbf_per_sh | ^ Warning: 'i_nbf_per_sh' may be used uninitialized [-Wmaybe-uninitialized] Compiling ludcmp.F... Compiling mprint.f... Compiling opprint.f... Compiling sym_put_geom.F... Compiling spgen.F... Compiling sym_map.F... Compiling sym_nwc.F... Compiling sym_apply_op.F... Compiling sym_get_cart.F... Compiling sym_grp_name.F... Compiling sym_ap_cart.F... Compiling sym_cent_map.F... Compiling sym_num_ops.F... Compiling sym_ops_get.F... Compiling sym_op_get.F... Compiling sym_pr_all.F... Compiling sym_geom_prj.F... Compiling cross_prod.F... Compiling sym_op_cname.F... Compiling sym_pr_ops.F... Compiling deter3.F... Compiling sym_op_clsfy.F... Compiling sym_tr_bs_op.F... Compiling sym_bs_irrep.F... sym_bs_irrep.F:165:72: 165 | n = n + nbf_per_ir(ir) | ^ Warning: 'itrace' may be used uninitialized [-Wmaybe-uninitialized] sym_bs_irrep.F:25:35: 25 | integer class, op, ir, itrace, i | ^ note: 'itrace' was declared here Compiling sym_op_type.F... Compiling sym_char_tab.F... Compiling sym_pr_ctab.F... Compiling sym_inv_op.F... Compiling sym_mo_adapt.F... sym_mo_adapt.F:324:30: 323 | call ga_igop(msg_sym_1, nmixed, 1, '+') | 2 324 | call ga_igop(msg_sym_2, irs, nvec, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling sym_g_sym.F... Compiling wrcell.F... Compiling dctr.f... Compiling sym_irrepname.F... Compiling sym_abelian.F... Compiling sym_mol.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/symmetry' Compiling sym_sym.F... Compiling sym_mo_ap_op.F... Compiling sym_bas_op.F... Compiling sym_bs_ir_id.F... Compiling sym_sh_pair.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/symmetry' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/symmetry' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a dosymops.o gensym.o gensym_extra.o sym_vec_sym.o ludcmp.o mprint.o opprint.o sym_put_geom.o spgen.o sym_map.o sym_nwc.o sym_apply_op.o sym_get_cart.o sym_grp_name.o sym_ap_cart.o sym_cent_map.o sym_num_ops.o sym_ops_get.o sym_op_get.o sym_pr_all.o sym_geom_prj.o cross_prod.o sym_op_cname.o sym_pr_ops.o deter3.o sym_op_clsfy.o sym_tr_bs_op.o sym_bs_irrep.o sym_op_type.o sym_char_tab.o sym_pr_ctab.o sym_inv_op.o sym_mo_adapt.o sym_g_sym.o wrcell.o dctr.o sym_irrepname.o sym_abelian.o sym_mol.o sym_sym.o sym_mo_ap_op.o sym_bas_op.o sym_bs_ir_id.o sym_sh_pair.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/symmetry' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/symmetry' Making libraries in util make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/util' Compiling output.f... Compiling errquit.F... Compiling ffflush.F... Compiling print_center.F... Compiling util_flush.F... Compiling util_sgroup.F... util_sgroup.F:168:54: 166 | if(.not.rtdb_put(rtdb,'dft:largenode',mt_log,1,.true.)) | 2 167 | & call errquit('util_sggo: rtdb_put nodisk failed',1,RTDB_ERR) 168 | if (.not. rtdb_put(rtdb, 'dft:noio', mt_int, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling util_host.c... Compiling util_date.c... Compiling input_echo.F... Compiling util_transpose.F... Compiling ga_iter_diag.F... ga_iter_diag.F:377:72: 377 | end | ^ Warning: 'converged' may be used uninitialized [-Wmaybe-uninitialized] ga_iter_diag.F:83:23: 83 | logical converged | ^ note: 'converged' was declared here Compiling ga_maxelt.F... Compiling nga_idamax.F... Compiling ga_pcg_min.F... Compiling line_search.F... Compiling ga_orth_vec.F... Compiling ga_ran_fill.F... ga_ran_fill.F:40:53: 35 | call ga_put(g_a, ibot, itop, j, j, buf, bufsiz) | 2 ...... 40 | call ga_put(g_a, ibot, itop, j, j, zbuf, bufsiz) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling ga_mix.F... Compiling ga_list.F... Compiling ga_it_proj.F... Compiling ga_screen.F... Compiling ga_get_diag.F... Compiling fortchar.c... fortchar.c: In function 'fcrcv_': fortchar.c:125:47: warning: array subscript 256 is above array bounds of 'char[256]' [-Warray-bounds=] 125 | } while ( clength == lenbuf && cstring[clength] != '\0'); | ~~~~~~~^~~~~~~~~ fortchar.c:106:10: note: while referencing 'cstring' 106 | char cstring[FC_MAXLEN]; | ^~~~~~~ Compiling seq_output.F... Compiling ga_mat2col.F... Compiling util_ch_brd.F... util_ch_brd.F:35:42: 31 | call ga_brdcst(type, ls, mitob1, origin) | 2 ...... 35 | if (ls .gt. 0) call ga_brdcst(type, c, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling two_ind_trn.F... Compiling util_pname.F... Compiling sread.F... Compiling swrite.F... swrite.F:17:62: 17 | if (left.ne.0) call errquit('swrite: left .ne. 0',left, DISK_ERR) | 1 ...... 25 | 20 call errquit('sswrit: error writing to unit ', itape, DISK_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(4)). Compiling banner.f... Compiling util_print.F... cp util_v_stub.F util_version.F Compiling util_module_avail.F... Compiling util_nwchem_version.F... Compiling util_ga_version.F... Compiling util_nwchem_paper.F... Compiling util_nwchem_srcdir.F... Compiling utilc_nwchem_srcdir.c... Compiling mk_fit_xf.F... mk_fit_xf.F:95:10: 95 | If (Type .eq. 1) then | ^ Warning: 'type' may be used uninitialized [-Wmaybe-uninitialized] mk_fit_xf.F:62:23: 62 | Integer NBF, Type, G_Tmp, G_S | ^ note: 'type' was declared here mk_fit_xf.F:206:23: 206 | If (DoSplit .AND. Type .eq. 1) then | ^ Warning: 'dosplit' may be used uninitialized [-Wmaybe-uninitialized] mk_fit_xf.F:61:29: 61 | Logical Status, DoSplit | ^ note: 'dosplit' was declared here Compiling int_2c_ga.F... Compiling ma_solve.F... Compiling ga_local_mdot.F... ga_local_mdot.F:148:36: 63 | call dfill(nva*nvb, 0.0d0, dbl_mb(k_work), 1) | 2 ...... 148 | call dfill(nva*nvb, 0.0d0, dcpl_mb(k_work), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling util_cpusec.F... Compiling util_wallsec.F... Compiling gather.f... Compiling scatter.f... Compiling ga_trace_dg.F... Compiling lcopy.f... Compiling util_legal.F... util_legal.F:335:16: 335 | do while (next_line(ibegin,iend,ilen,',',newchr(1:len_newchr))) | ^ Warning: 'len_newchr' may be used uninitialized [-Wmaybe-uninitialized] util_legal.F:316:24: 316 | integer len_newchr | ^ note: 'len_newchr' was declared here Compiling util_file_name.F... Compiling util_io_unit.F... Compiling util_speak.c... Compiling util_rtdb_speak.F... Compiling util_file_copy.c... util_file_copy.c: In function 'util_file_parallel_copy': util_file_copy.c:86:34: warning: unused variable 'msgbuf' [-Wunused-variable] 86 | Integer nread, msgnread=44,msgbuf=45,msglen=sizeof(Integer),node0=0; | ^~~~~~ util_file_copy.c:86:22: warning: unused variable 'msgnread' [-Wunused-variable] 86 | Integer nread, msgnread=44,msgbuf=45,msglen=sizeof(Integer),node0=0; | ^~~~~~~~ Compiling util_file_unlink.c... Compiling util_system.c... util_system.c: In function 'util_system_': util_system.c:40:16: warning: unused variable 'Siginit' [-Wunused-variable] 40 | void (*Siginit)(); | ^~~~~~~ util_system.c:39:9: warning: unused variable 'i' [-Wunused-variable] 39 | int i; | ^ Compiling util_sleep.c... Compiling util_rtdb_state.F... Compiling ecce_print.c... Compiling util_random.F... Compiling util_job.F... Compiling util_getenv.F... Compiling util_getarg.F... Compiling util_nwchemrc.F... Compiling util_md.F... util_md.F:118:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 118 | if(lpara) call ga_dgop(mag_d09,rms0,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) util_md.F:184:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 184 | if(lpara) call ga_dgop(mag_d11,rms1,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) util_md.F:257:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 257 | if(lpara) call ga_dgop(mag_d09,rms0,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) util_md.F:323:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 323 | if(lpara) call ga_dgop(mag_d11,rms1,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling util_md_c.c... Compiling util_md_sockets.c... Compiling dgewr.F... Compiling atoi.F... Compiling indint.F... Compiling util_wall_remain.c... util_md.F:852:72: 852 | b=a(i,k) | ^ Warning: 'i' may be used uninitialized [-Wmaybe-uninitialized] util_md.F:824:20: 824 | integer idim,i,j,k,l,m | ^ note: 'i' was declared here util_md.F:852:72: 852 | b=a(i,k) | ^ Warning: 'k' may be used uninitialized [-Wmaybe-uninitialized] util_md.F:824:24: 824 | integer idim,i,j,k,l,m | ^ note: 'k' was declared here Compiling ga_normf.F... Compiling corr_mk_ref.F... corr_mk_ref.F:384:14: 156 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 384 | $ NFrzVir) ) Then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling nw_inp_from_file.F... nw_inp_from_file.F:46:72: 46 | end | ^ Warning: '__result_nw_inp_from_characte' may be used uninitialized [-Wmaybe-uninitialized] nw_inp_from_file.F:1:44: 1 | logical function nw_inp_from_character(rtdb, string) | ^ note: '__result_nw_inp_from_characte' was declared here Compiling bgj.F... bgj.F:399:60: 69 | & 1, itype)) then | 2 ...... 399 | if(.not.rtdb_get(bgj_rtdb,'dft:dontcare',mt_log, 1,dontcare)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling movecs_ecce.F... movecs_ecce.F:122:38: 120 | call ecce_print1(ceval, mt_dbl, eval, nmo) | 2 121 | call ecce_print1(cocc, mt_dbl, occ, nmo) 122 | call ecce_print1(csym, mt_int, sym, nmo) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling get_density.F... Compiling moeig_read.F... moeig_read.F:69:45: 67 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, mitob1, 0) ! Propagate status | 2 68 | if (ok .eq. 1) then 69 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling util_debug.c... Compiling util_erf.F... Compiling util_cflush.c... Compiling util_ascii_plot.F... Compiling util_length_scale.F... Compiling ga_it2.F... Compiling ga_lkain_ext.F... ga_it2.F:969:55: 966 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, a, maxmaxsub) | 2 ...... 969 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, za, maxmaxsub) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:993:51: 987 | $ call ga_get(g_c, 1, nsub-1, 1, 1, c, 1) | 2 ...... 993 | $ call ga_get(g_c, 1, nsub-1, 1, 1, zc, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:994:32: 988 | call ga_brdcst(1, c, mdtob_nsub1, 0) | 2 ...... 994 | call ga_brdcst(1, zc, 2*mdtob_nsub1, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:1022:36: 1009 | call ga_add_patch( c(isub), g_y, 1, n, isub, isub, | 2 ...... 1022 | call ga_add_patch( zc(isub), g_y, 1, n, isub, isub, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:1039:35: 923 | call ga_scale(g_delta, mone) | 2 ...... 1039 | call ga_scale(g_delta, trust/rmax) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_it2.F:124:53: 124 | call ga_get(g_x, i, i, ivec, ivec, x, 1) | 1 ...... 987 | $ call ga_get(g_c, 1, nsub-1, 1, 1, c, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ga_it2.F:126:53: 126 | call ga_put(g_x, i, i, ivec, ivec, x, 1) | 1 ...... 966 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, a, maxmaxsub) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ga_it2.F:1286:55: 472 | if (.not.rtdb_get(rtdb,'cphf:acc',mt_dbl,1,acc)) acc=1d-4*tol | 2 ...... 1286 | if (.not.rtdb_get(rtdb,'solver:restart',mt_int,1,restr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). ga_it2.F:189:41: 189 | call ga_put(g_a, i, i, i, i, 0.5*dble(i), 1) | 1 ...... 966 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, a, maxmaxsub) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ga_it2.F:1324:60: 596 | if (.not. rtdb_put(rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 1324 | if (.not. rtdb_put(rtdb, 'solver:restart', MT_int, 1, restr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling ma_print.F... Compiling freeze_input.F... freeze_input.F:83:51: 59 | if (.not. rtdb_put(rtdb, key, mt_log, 1, .true.)) | 2 ...... 83 | if(.not. rtdb_put(rtdb, key, mt_int, 1, num_elem)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ga_extra.F... Compiling util_test.F... ga_extra.F:52:47: 44 | call ga_get(g_a, i, i, j, j, number, 1) | 2 ...... 52 | call ga_get(g_a, i, i, j, j, znumber, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_extra.F:54:46: 46 | call ga_put(g_a,i, i, j, j, number, 1) | 2 ...... 54 | call ga_put(g_a,i, i, j, j, znumber, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling util_ga_test.F... Compiling util.c... util_ga_test.F:1198:35: 1198 | call ga_get(g_a, 1, n, 1, n, b, n) | 1 ...... 1560 | call ga_get(g_a, 1, n, 1, n, b, n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(4)). util_ga_test.F:1232:52: 1232 | call ga_put(g_a, ilo, ihi, jlo, jhi, a(ilo, jlo), n) | 1 ...... 1594 | call ga_put(g_a, ilo, ihi, jlo, jhi, a(ilo, jlo), n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(4)). util_ga_test.F:891:52: 891 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 1 ...... 1700 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:891:68: 891 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 1 ...... 1700 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:975:25: 975 | call ga_scale(g_a, factor) | 1 ...... 1818 | call ga_scale(g_a, 0.123) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1012:29: 1012 | call ga_gather(g_a, v, iv, jv, m) | 1 ...... 1870 | call ga_gather(g_a, v, iv, jv, m) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1044:30: 1044 | call ga_scatter(g_a, v, iv, jv, m) | 1 ...... 1903 | call ga_scatter(g_a, v, iv, jv, m) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1078:18: 1078 | call ga_add((0.1d0,-.1d0), g_a, (0.9d0,-.9d0), g_b, g_b) | 1 ...... 1771 | call ga_add(0.1, g_a, 0.9, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1078:38: 1078 | call ga_add((0.1d0,-.1d0), g_a, (0.9d0,-.9d0), g_b, g_b) | 1 ...... 1771 | call ga_add(0.1, g_a, 0.9, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). Compiling util_patch_test.F... util_patch_test.F:626:42: 626 | call ga_fill_patch(g_a, 2,n/2, 2,n, val) | 1 ...... 1115 | call ga_fill_patch(g_a, 2,n/2, 2,n, val) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:629:38: 629 | call ga_get(g_a, 1,n/2, j,j, buf,n/2) | 1 ...... 1118 | call ga_get(g_a, 1,n/2, j,j, buf,n/2) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:649:33: 649 | call ga_put(g_a,1,n,j,j,a(1,j),n) | 1 ...... 1138 | call ga_put(g_a,1,n,j,j,a(1,j),n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:785:60: 785 | call ga_scale_patch(g_b, bilo,bilo+n/2,bjlo, bjlo+n/3,val) | 1 ...... 1275 | call ga_scale_patch(g_b, bilo,bilo+n/2,bjlo, bjlo+n/3,val) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:821:24: 821 | call ga_add_patch(alpha, g_a, ailo,ailo+n/2, ajlo, ajlo+n/3, | 1 ...... 1312 | call ga_add_patch(alpha, g_a, ailo,ailo+n/2, ajlo, ajlo+n/3, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:822:25: 822 | $ beta, g_b, bilo,bilo+n/2, bjlo, bjlo+n/3, | 1 ...... 1313 | $ beta, g_b, bilo,bilo+n/2, bjlo, bjlo+n/3, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:403:36: 403 | call ga_matmul_patch('n','n', 1d0, 0d0, | 1 ...... 890 | call ga_matmul_patch('n','n', (1d0,0d0), (0d0,0d0), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). util_patch_test.F:403:41: 403 | call ga_matmul_patch('n','n', 1d0, 0d0, | 1 ...... 890 | call ga_matmul_patch('n','n', (1d0,0d0), (0d0,0d0), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling util_ndim_test.F... Compiling util_perf_test.F... Compiling util_test_lu.F... Compiling util_test_eig.F... Compiling util_dra_test.F... util_dra_test.F:101:38: 101 | call ga_put(g_a, 1, n, j, j, a(1, j), n) | 1 ...... 236 | call ga_put(g_a, 1, n, j, j, a(1, j), n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). util_dra_test.F:162:18: 162 | call ga_add(1, g_a, -1, g_b, g_b) | 1 ...... 272 | call ga_add(1d0, g_a, -1d0, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). util_dra_test.F:162:26: 162 | call ga_add(1, g_a, -1, g_b, g_b) | 1 ...... 272 | call ga_add(1d0, g_a, -1d0, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling util_eaf_test.F... util_eaf_test.F:371:30: 190 | $ DMAP(iter), | 2 ...... 371 | ierr = eaf_write(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). util_eaf_test.F:371:38: 191 | $ buf(1), buf_sz)) | 2 ...... 371 | ierr = eaf_write(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). util_eaf_test.F:387:29: 219 | $ DMAP(iter), | 2 ...... 387 | ierr = eaf_read(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). util_eaf_test.F:387:37: 220 | $ buf2(1), buf_sz)) | 2 ...... 387 | ierr = eaf_read(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling util_sf_test.F... Compiling ga_lkain_2cpl3.F... ga_lkain_2cpl3.F:111:34: 95 | & converge_precond)) | 2 ...... 111 | & acc)) acc = 1d-4*tol | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). ga_lkain_2cpl3.F:1259:22: 347 | if (odebug) call ga_print(g_a) | 2 ...... 1259 | call ga_print(g_x) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ga_lkain_2cpl3.F:1275:22: 347 | if (odebug) call ga_print(g_a) | 2 ...... 1275 | call ga_print(g_x) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ga_lkain_2cpl3.F:1301:22: 347 | if (odebug) call ga_print(g_a) | 2 ...... 1301 | call ga_print(g_x) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling util_io.F... ga_lkain_2cpl3.F:1025:14: 1025 | if (debug1) then | ^ Warning: 'debug1' may be used uninitialized [-Wmaybe-uninitialized] ga_lkain_2cpl3.F:602:20: 602 | logical debug1 | ^ note: 'debug1' was declared here Compiling util_xyz.F... Compiling util_ma.F... Compiling util_mpinap.c... Compiling ga_lkain_2cpl3_ext.F... Compiling util_dgeev.F... Compiling util_nwsort.F... Compiling util_mygabcast.c... Compiling util_getppn.c... ga_lkain_2cpl3_ext.F:5289:72: 5289 | & 'getdiffs_Az1z1: failed op ne +1 or -1') | 1 Warning: Missing actual argument for argument '_formal_8' at (1) ga_lkain_2cpl3_ext.F:5297:72: 5297 | call errquit('getdiffs_Az1z1: failed nsub lt 6') | 1 Warning: Missing actual argument for argument '_formal_8' at (1) ga_lkain_2cpl3_ext.F:2495:44: 2495 | call ga_get(g_xr1,1,n2,ivec,ivec,dbl_mb(k_x),1) | 1 ...... 5811 | call ga_get(g_b,i,i,1,nvec,dcpl_mb(k_z),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:2363:53: 2363 | call ga_put(g_Ax1,idat ,idat ,ivec1,ivec1,val_re,1) | 1 ...... 6197 | call ga_put(g_a,i,i,j,j,number,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:6128:27: 5698 | call ga_add_patch(one_cmplx,g_zr1,1,n1,1,nvec, | 2 ...... 6128 | call ga_add_patch(one,g_xr1 ,m1,m2,1,nvec, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:6129:27: 5699 | $ one_cmplx,g_z1 ,1,n1,p1,p2, | 2 ...... 6129 | $ one,g_x(ipm),1 ,n ,1,nvec, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:123:34: 107 | & converge_precond)) | 2 ...... 123 | & acc)) acc = 1d-4*tol | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling util_units.F... Compiling util_align.F... Compiling util_intrsc2008.F... ./util_scalapack_info.bash Compiling util_fadvise.c... Compiling ga_conjg.F... Compiling nwmolden.F... Compiling ao_1prdm_read.F... Compiling ao_1prdm_write.F... Compiling util_strips.F... Compiling util_poltensor.F... Compiling util_mygop.F... Compiling util_isnan.c... Compiling util_blasthreads.F... Compiling util_gpu_affinity.F... Compiling util_scalapack.F... Compiling util_norm2.F... Compiling util_dpofa.F... Compiling util_dgedi.F... Compiling linux_cpu.c... Compiling linux_shift.F... Compiling linux_random.c... Compiling erfc.c... Compiling linux_printaff.c... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/util' Making all in md5 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/util/md5' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Compiling md5wrap.c... md5wrap.c:116:13: warning: 'checksum_string_to_sum' defined but not used [-Wunused-function] 116 | static void checksum_string_to_sum(const char csum[33], unsigned char sum[16]) | ^~~~~~~~~~~~~~~~~~~~~~ Compiling md5.c... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/util/md5' Compiling ga_matpow.F... Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a md5wrap.o md5.o Compiling util_pack.F... util_pack.F:134:28: 77 | call ifill(ndo, 0, unpacked(i1-base), 1) | 2 ...... 134 | call ifill(ndo, 0, unpacked(i2-base), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(2)/INTEGER(1)). echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/util/md5' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/util/md5' Compiling dabssum.F... Compiling util_version.F... Compiling util_scalapack_info.F... Compiling dabsmax.F... Compiling dfill.F... Compiling ifill.f... Compiling mabyte_fill.F... Compiling zfill.f... Compiling ga_it_lsolve.F... ga_it_lsolve.F:235:72: 235 | convg_ratio = rnorm/rnorm_prev | ^ Warning: 'rnorm_prev' may be used uninitialized [-Wmaybe-uninitialized] ga_it_lsolve.F:77:40: 77 | double precision rnorm, rnorm_prev, bnorm, convg_ratio | ^ note: 'rnorm_prev' was declared here Compiling ga_it_orth.F... Compiling ga_orthog.F... Compiling idamin.f... Compiling util_jacobi.F... Compiling util_rsg.f... Compiling stpr_sjacobi.F... Compiling util_memcpy.c... util_rsg.f:139:72: 139 | h = g * p / r | ^ Warning: 'b' may be used uninitialized [-Wmaybe-uninitialized] util_rsg.f:42:24: 42 | double precision b,c,f,g,h,p,r,s,t,util_epslon,util_pythag | ^ note: 'b' was declared here util_rsg.f:102:16: 102 | if (e2(m) .le. c) go to 120 | ^ Warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] util_rsg.f:42:26: 42 | double precision b,c,f,g,h,p,r,s,t,util_epslon,util_pythag | ^ note: 'c' was declared here Compiling ga_accback.c... Compiling ga_asymmetr.c... Compiling util_gnxtval.c... Compiling nxtask.F... nxtask.F:125:72: 125 | end | ^ Warning: '__result_nxtask0' may be used uninitialized [-Wmaybe-uninitialized] nxtask.F:36:30: 36 | integer function nxtask0(nproc, ichunk, skipfirst) | ^ note: '__result_nxtask0' was declared here nxtask.F:36:30: Warning: '__result_nxtask0' may be used uninitialized [-Wmaybe-uninitialized] Compiling util_mirror.F... util_mirror.F:24:23: 24 | call nga_inquire(g_a, type, ndim, dims) | 1 ...... 85 | call nga_inquire(g_a, type, ndim, dims) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ga_copy_dz.F... Compiling dgami.f... dgami.f:351:72: 351 | DCSEVL = 0.5D0*(B0-B2) | ^ Warning: 'b2' may be used uninitialized [-Wmaybe-uninitialized] dgami.f:327:33: 327 | DOUBLE PRECISION B0, B1, B2, CS(*), ONEPL, TWOX, X, D1MACH | ^ note: 'b2' was declared here dgami.f:937:10: 937 | 20 IF (I .EQ. NOS) CALL XERMSG ('SLATEC', 'INITDS', | ^ Warning: 'i' may be used uninitialized [-Wmaybe-uninitialized] dgami.f:932:9: 932 | I = NOS + 1 - II | ^ note: 'i' was declared here Compiling util_eri_cholesky.F... Compiling util_test_cholesky.F... Compiling util_sillysort.F... Compiling util_talker.c... util_talker.c: In function 'util_talker_': util_talker.c:23:19: warning: unused variable 'valread' [-Wunused-variable] 23 | int sock = 0, valread; | ^~~~~~~ Compiling icopy.f... Compiling dsum.f... Compiling dgefa.f... Compiling zsum.f... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/util' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/util' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a output.o errquit.o ffflush.o print_center.o util_flush.o util_sgroup.o util_host.o util_date.o input_echo.o util_transpose.o ga_iter_diag.o ga_maxelt.o nga_idamax.o ga_pcg_min.o line_search.o ga_orth_vec.o ga_ran_fill.o ga_mix.o ga_list.o ga_it_proj.o ga_screen.o ga_get_diag.o fortchar.o seq_output.o ga_mat2col.o util_ch_brd.o two_ind_trn.o util_pname.o sread.o swrite.o banner.o util_print.o util_module_avail.o util_version.o util_nwchem_version.o util_ga_version.o util_nwchem_paper.o util_nwchem_srcdir.o utilc_nwchem_srcdir.o mk_fit_xf.o int_2c_ga.o ma_solve.o ga_local_mdot.o util_cpusec.o util_wallsec.o gather.o scatter.o ga_trace_dg.o lcopy.o util_legal.o util_file_name.o util_io_unit.o util_speak.o util_rtdb_speak.o util_file_copy.o util_file_unlink.o util_system.o util_sleep.o util_rtdb_state.o ecce_print.o util_random.o util_job.o util_getenv.o util_getarg.o util_nwchemrc.o util_md.o util_md_c.o util_md_sockets.o dgewr.o atoi.o indint.o util_wall_remain.o ga_normf.o corr_mk_ref.o nw_inp_from_file.o bgj.o movecs_ecce.o get_density.o moeig_read.o util_file_copy.o util_debug.o util_erf.o util_cflush.o util_ascii_plot.o util_length_scale.o ga_it2.o ga_lkain_ext.o ma_print.o freeze_input.o ga_extra.o util_test.o util_ga_test.o util.o util_patch_test.o util_ndim_test.o util_perf_test.o util_test_lu.o util_test_eig.o util_dra_test.o util_eaf_test.o util_sf_test.o ga_lkain_2cpl3.o util_io.o util_xyz.o util_ma.o util_mpinap.o ga_lkain_2cpl3_ext.o util_dgeev.o util_nwsort.o util_mygabcast.o util_getppn.o util_units.o util_align.o util_intrsc2008.o util_fadvise.o util_scalapack_info.o ga_conjg.o nwmolden.o ao_1prdm_read.o ao_1prdm_write.o util_strips.o util_poltensor.o util_mygop.o util_isnan.o util_blasthreads.o util_gpu_affinity.o util_scalapack.o util_norm2.o util_dpofa.o util_dgedi.o linux_cpu.o linux_shift.o linux_random.o erfc.o linux_printaff.o ga_matpow.o util_pack.o dabssum.o dabsmax.o dfill.o ifill.o mabyte_fill.o zfill.o ga_it_lsolve.o ga_it_orth.o ga_orthog.o idamin.o util_jacobi.o util_rsg.o stpr_sjacobi.o util_memcpy.o ga_accback.o ga_asymmetr.o util_gnxtval.o nxtask.o util_mirror.o ga_copy_dz.o dgami.o util_eri_cholesky.o util_test_cholesky.o util_sillysort.o util_talker.o icopy.o dsum.o dgefa.o zsum.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/util' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/util' Making libraries in peigs make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/peigs' (make lib ) || exit 1 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/peigs' (cd ./src/c; make) make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/peigs/src/c' Compiling clustrfix.c... clustrfix.c: In function 'clustrfix_': clustrfix.c:365:23: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 365 | printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); | ~^ ~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld clustrfix.c:365:30: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 365 | printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); | ~^ ~~~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld clustrfix.c:365:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 365 | printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); | ~^ ~~~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld clustrfix.c:365:42: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 365 | printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); | ~^ ~~~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld clustrfix.c:139:19: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 139 | DoublePrecision eps, xj1, xj2; | ^~~ clustrfix.c:134:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] 134 | Integer me; | ^~ clustrfix.c:128:23: warning: variable 'num_all_cls' set but not used [-Wunused-but-set-variable] 128 | Integer j, num_cls, num_all_cls; | ^~~~~~~~~~~ clustrfix.c:127:11: warning: variable 'jblk' set but not used [-Wunused-but-set-variable] 127 | Integer jblk, nblk; | ^~~~ clustrfix.c: At top level: clustrfix.c:62:16: warning: 'clustr_check' defined but not used [-Wunused-function] 62 | static Integer clustr_check(c1, cn, imin, imax) | ^~~~~~~~~~~~ Compiling mgscs.c... mgscs.c: In function 'mgscs': mgscs.c:184:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 184 | fprintf(stderr, "node = %d NULL vector assignment in vecA \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling pscale.c... pscale.c: In function 'pscale_': pscale.c:232:20: warning: variable 'maxinfo' set but not used [-Wunused-but-set-variable] 232 | nproc, msize, maxinfo; | ^~~~~~~ pscale.c:232:6: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 232 | nproc, msize, maxinfo; | ^~~~~ pscale.c:231:31: warning: variable 'me' set but not used [-Wunused-but-set-variable] 231 | Integer il, linfo, me, | ^~ pscale.c:231:24: warning: variable 'linfo' set but not used [-Wunused-but-set-variable] 231 | Integer il, linfo, me, | ^~~~~ Compiling clustrxx5.c... clustrxx5.c: In function 'clustrinv5_': clustrxx5.c:128:45: warning: variable 'ival' set but not used [-Wunused-but-set-variable] 128 | myindx, ime, itype, nvecs, isize, ival, first, ibad, itmp; | ^~~~ clustrxx5.c:128:11: warning: 'myindx' may be used uninitialized [-Wmaybe-uninitialized] 128 | myindx, ime, itype, nvecs, isize, ival, first, ibad, itmp; | ^~~~~~ Compiling clustrxx4.c... clustrxx4.c: In function 'clustrinv4_': clustrxx4.c:84:19: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 84 | DoublePrecision eps; | ^~~ clustrxx4.c:78:23: warning: variable 'Zvec' set but not used [-Wunused-but-set-variable] 78 | Integer me, naproc, Zvec; | ^~~~ clustrxx4.c:78:15: warning: variable 'naproc' set but not used [-Wunused-but-set-variable] 78 | Integer me, naproc, Zvec; | ^~~~~~ Compiling pstein4.c... Compiling pstein5.c... pstein5.c: In function 'pstein5': pstein5.c:232:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 232 | printf( " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 233 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pstein5.c:232:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 232 | printf( " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 233 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pstein5.c:300:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 300 | printf( " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 301 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pstein5.c:300:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 300 | printf( " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 301 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pstein5.c:444:29: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 444 | fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", | ~^ | | | int | %ld 445 | me, isize, neigval ); | ~~ | | | Integer {aka long int} pstein5.c:444:58: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 444 | fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", | ~^ | | | int | %ld 445 | me, isize, neigval ); | ~~~~~ | | | Integer {aka long int} pstein5.c:444:71: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 444 | fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", | ~^ | | | int | %ld 445 | me, isize, neigval ); | ~~~~~~~ | | | Integer {aka long int} Compiling peigs_dlasq1.c... peigs_dlasq1.c: In function 'peigs_dlasq1': peigs_dlasq1.c:33:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 33 | printf(" error in ylasq1 info = %d \n", *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld peigs_dlasq1.c:34:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 34 | sprintf( filename, "pdspevx.%d", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld peigs_dlasq1.c:37:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 37 | fprintf(file, " %d %20.16f %20.16f \n", iii, dplus[iii], lplus[iii]); | ~^ ~~~ | | | | int Integer {aka long int} | %ld peigs_dlasq1.c:12:26: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 12 | Integer i, j, iii, me, nproc; | ^~~~~ peigs_dlasq1.c:39:5: warning: pointer 'file' used after 'fclose' [-Wuse-after-free] 39 | fflush(file); | ^~~~~~~~~~~~ peigs_dlasq1.c:38:5: note: call to 'fclose' here 38 | fclose(file); | ^~~~~~~~~~~~ Compiling b_ortho.c... b_ortho.c: In function 'b_ortho': b_ortho.c:190:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 190 | "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 191 | *m, *n, me); | ~~ | | | Integer {aka long int} b_ortho.c:190:57: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 190 | "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 191 | *m, *n, me); | ~~ | | | Integer {aka long int} b_ortho.c:190:67: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 190 | "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 191 | *m, *n, me); | ~~ | | | Integer {aka long int} Compiling chol_bcst.c... chol_bcst.c: In function 'chol_pipe_bcast': chol_bcst.c:97:21: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 97 | Integer *junk, k, isize; | ^~~~~ Compiling choleski9.c... choleski9.c: In function 'sub_chol0': choleski9.c:292:17: warning: variable 'root' set but not used [-Wunused-but-set-variable] 292 | long length, root; | ^~~~ choleski9.c:292:9: warning: variable 'length' set but not used [-Wunused-but-set-variable] 292 | long length, root; | ^~~~~~ Compiling ci_entry.c... ci_entry.c: In function 'ci_entry': ci_entry.c:122:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 122 | printf(" Peigs: ci_entry_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:145:37: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 145 | printf("PeIGS: ci_entry_ :node %d : i < j \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c: In function 'ci_entry_': ci_entry.c:231:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 231 | printf(" Peigs: ci_entry_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:254:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 254 | printf( "PeIGS: ci_entry_ :node %d : i < j \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c: In function 'ci_size_': ci_entry.c:321:20: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 321 | printf(" Node %d Error in ci_size arg 1 with me = %d mxnprc = %d \n", iam, *me, mxnprc_()); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:321:56: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 321 | printf(" Node %d Error in ci_size arg 1 with me = %d mxnprc = %d \n", iam, *me, mxnprc_()); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:321:68: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 321 | printf(" Node %d Error in ci_size arg 1 with me = %d mxnprc = %d \n", iam, *me, mxnprc_()); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:335:37: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 335 | printf(" Peigs: ci_size_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c: In function 'fil_mapvec_': ci_entry.c:396:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 396 | printf(" Peigs: fil_mapvec_ node %d : first argument is NULL \n", mxmynd_()); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:397:19: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 397 | printf("me = %d fil_mapvec_ \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:402:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 402 | printf(" Peigs: fil_mapvec_ node %d : first argument %d out of bounds \n", mxmynd_(), *me); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:402:60: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 402 | printf(" Peigs: fil_mapvec_ node %d : first argument %d out of bounds \n", mxmynd_(), *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:403:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 403 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:408:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 408 | printf(" Peigs: fil_mapvec_ node %d : 2nd argument is NULL i\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:409:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 409 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:413:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | printf(" Peigs: fil_mapvec_ node %d : Mapping problem second argument is invalid \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:414:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 414 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:418:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 418 | printf(" Peigs: fil_mapvec_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:420:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 420 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:427:42: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 427 | printf(" Peigs: fil_mapvec_ node %d : 3rd argument error. \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:428:28: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 428 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:432:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 432 | printf(" Peigs: fil_mapvec_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:433:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 433 | printf(" Peigs: fil_mapvec_ node %d : 4th argument error. \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:435:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 435 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:444:23: warning: the comparison will always evaluate as 'false' for the pointer operand in 'mapvec + (sizetype)((long unsigned int)k * 8)' must not be NULL [-Waddress] 444 | if ( mapvec + k == NULL ) { | ^~ ci_entry.c:446:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 446 | printf(" Peigs: fil_mapvec_ node %d : 4th argument error. \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:447:30: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 447 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld Compiling conjug22.c... conjug22.c: In function 'lsl_conjugation2': conjug22.c:95:41: warning: variable 'iptr' set but not used [-Wunused-but-set-variable] 95 | Integer *iscrat, *mapvecA, *mapvecB, *iptr; | ^~~~ conjug22.c:94:34: warning: variable 'linfo' set but not used [-Wunused-but-set-variable] 94 | Integer i, me, nvecsA, nvecsB, linfo, id; | ^~~~~ Compiling de_sym.c... de_sym.c: In function 'un_load': de_sym.c:250:29: warning: variable 'icount' set but not used [-Wunused-but-set-variable] 250 | Integer indx, jndx, j, k, icount; | ^~~~~~ Compiling exit.c... exit.c: In function 'g_exit2_': exit.c:78:35: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 78 | fprintf(stderr, "G_EXIT2: Node %d Error. A routine called g_exit2_, \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit.c:79:65: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 79 | fprintf(stderr, "Message from calling routine: %s node id = %d \n", array, me); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit.c: In function 'g_exit_': exit.c:151:36: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 151 | fprintf(stderr, "G_EXIT: Node %d Error: Number of processors in Proc List exceeds number allocated \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit.c:164:41: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 164 | fprintf(stderr, " %s My node id = %d info = %d (g_exit_) \n", array, me, *n); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit.c:164:51: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 164 | fprintf(stderr, " %s My node id = %d info = %d (g_exit_) \n", array, me, *n); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling exit2.c... exit2.c: In function 'l_exit_': exit2.c:61:39: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 61 | fprintf(stderr, " %s My node id = %d info = %d (l_exit_) \n", array, me, *info); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit2.c:61:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 61 | fprintf(stderr, " %s My node id = %d info = %d (l_exit_) \n", array, me, *info); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld Compiling forLL.c... Compiling forLU.c... Compiling gmax.c... Compiling inverse.c... inverse.c: In function 'pipe_bcst_prev_col': inverse.c:91:27: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 91 | Integer *junk, *ptr, k, isize; | ^~~~~ inverse.c: In function 'inverseL': inverse.c:225:11: warning: variable 'length' set but not used [-Wunused-but-set-variable] 225 | Integer length; | ^~~~~~ Compiling lu_mxm2.c... Compiling mapdif.c... mapdif.c: In function 'mapdif_': mapdif.c:77:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] 77 | Integer me; | ^~ Compiling mapdif1.c... mapdif1.c: In function 'mapdif1_': mapdif1.c:79:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] 79 | Integer me; | ^~ Compiling matmax.c... Compiling mdif2b.c... Compiling mdiff1.c... Compiling mdiff2.c... Compiling memreq.c... memreq.c: In function 'memreq_': memreq.c:181:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 181 | fprintf(stderr, " me = %d error in mapB in memreq.c \n",me); | ~^ ~~ | | | | int Integer {aka long int} | %ld memreq.c:197:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 197 | fprintf(stderr, " me = %d error in mapZ in memreq.c \n",me); | ~^ ~~ | | | | int Integer {aka long int} | %ld memreq.c:109:59: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 109 | Integer nvecsA, nvecsQ, nvecsQ_max, nvecsZ, nvecsZ_max, nvecsB; | ^~~~~~ memreq.c:105:32: warning: variable 'ptr_mxm25' set but not used [-Wunused-but-set-variable] 105 | ptr_tred2, ptr_mxm25, ptr_pdspevx; | ^~~~~~~~~ memreq.c:105:21: warning: variable 'ptr_tred2' set but not used [-Wunused-but-set-variable] 105 | ptr_tred2, ptr_mxm25, ptr_pdspevx; | ^~~~~~~~~ memreq.c:104:30: warning: variable 'ptr_clustrinv' set but not used [-Wunused-but-set-variable] 104 | ptr_mgs, ptr_clustrinv, ptr_pstein, ptr_pdsptri, | ^~~~~~~~~~~~~ memreq.c:104:21: warning: variable 'ptr_mgs' set but not used [-Wunused-but-set-variable] 104 | ptr_mgs, ptr_clustrinv, ptr_pstein, ptr_pdsptri, | ^~~~~~~ memreq.c:103:58: warning: variable 'ptr_inv_it' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~ memreq.c:103:45: warning: variable 'ptr_clustrf' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~~ memreq.c:103:33: warning: variable 'ptr_pstebz' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~ memreq.c:103:21: warning: variable 'ptr_dstebz' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~ memreq.c:100:41: warning: variable 'd_clustrf' set but not used [-Wunused-but-set-variable] 100 | d_dstebz, d_pstebz, d_clustrf, d_inv_it, | ^~~~~~~~~ Compiling memreq_f.c... memreq_f.c: In function 'fmemreq_': memreq_f.c:168:33: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 168 | fprintf(stderr, " me = %d error in mapB in fmemreq.c \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld memreq_f.c:184:31: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 184 | fprintf(stderr, " me = %d error in mapZ in fmemreq.c \n",me); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling mgs5.c... Compiling mxm25.c... Compiling mxm5x.c... Compiling mxm88.c... Compiling mxm_ll1.c... Compiling onenorm.c... Compiling ortho.c... ortho.c: In function 'ortho': ortho.c:162:44: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 162 | "Error in routine ortho m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 163 | *m, *n, me); | ~~ | | | Integer {aka long int} ortho.c:162:54: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 162 | "Error in routine ortho m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 163 | *m, *n, me); | ~~ | | | Integer {aka long int} ortho.c:162:64: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 162 | "Error in routine ortho m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 163 | *m, *n, me); | ~~ | | | Integer {aka long int} Compiling pdspev_c.c... pdspev_c.c: In function 'pdspev': pdspev_c.c:287:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 287 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", msg, me, -linfo ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspev_c.c:287:45: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 287 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", msg, me, -linfo ); | ~^ ~~~~~~ | | | | int Integer {aka long int} | %ld pdspev_c.c:315:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 315 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 316 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspev_c.c:315:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 315 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 316 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspev_c.c:341:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 341 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 342 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspev_c.c:341:48: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 341 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 342 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspev_c.c:357:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 357 | fprintf( stderr, " %s me = %d mapA,Z differ \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspev_c.c:382:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 382 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspev_c.c:206:28: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 206 | iub, nproc, isize, nvecsA, nvecsZ, linfo, maxinfo, | ^~~~~ Compiling pdspevx.c... pdspevx.c: In function 'pdspevx': pdspevx.c:353:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 353 | sprintf( filename, "pdspevx.%d", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx.c:413:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 414 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspevx.c:413:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 414 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspevx.c:455:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 455 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 456 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspevx.c:455:48: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 455 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 456 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspevx.c:482:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 482 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 483 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspevx.c:482:48: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 482 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 483 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspevx.c:498:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 498 | fprintf( stderr, " %s me = %d mapA,Z differ \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx.c:523:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 523 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx.c:937:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 937 | fprintf(stderr, " %s me = %d pstebz_ returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx.c:937:60: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 937 | fprintf(stderr, " %s me = %d pstebz_ returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdspevx.c:1068:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 1068 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx.c:1068:62: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 1068 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdspevx.c:289:13: warning: variable 'iscale' set but not used [-Wunused-but-set-variable] 289 | Integer iscale; | ^~~~~~ pdspevx.c:288:54: warning: variable 'anrm' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~~ pdspevx.c:288:48: warning: variable 'rmax' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~~ pdspevx.c:288:42: warning: variable 'rmin' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~~ pdspevx.c:288:37: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~ pdspevx.c:278:21: warning: variable 'fnormA' set but not used [-Wunused-but-set-variable] 278 | DoublePrecision fnormA; | ^~~~~~ pdspevx.c:268:39: warning: variable 'nvecsZ2' set but not used [-Wunused-but-set-variable] 268 | mapZ_0, nvecsQ, nvecsA, nvecsZ, nvecsZ2, | ^~~~~~~ pdspevx.c:268:7: warning: variable 'mapZ_0' set but not used [-Wunused-but-set-variable] 268 | mapZ_0, nvecsQ, nvecsA, nvecsZ, nvecsZ2, | ^~~~~~ pdspevx.c:267:14: warning: variable 'nZ2' set but not used [-Wunused-but-set-variable] 267 | isize, nZ2, | ^~~ pdspevx.c:266:7: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 266 | nproc, itmp, | ^~~~~ Compiling pdspgv_c.c... pdspgv_c.c: In function 'pdspgv': pdspgv_c.c:319:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 319 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 320 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspgv_c.c:319:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 319 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 320 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspgv_c.c:352:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 352 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 353 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspgv_c.c:352:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 352 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 353 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspgv_c.c:386:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 386 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 387 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspgv_c.c:386:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 386 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 387 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspgv_c.c:406:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 406 | fprintf( stderr, " %s me = %d mapA,B,Z differ \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgv_c.c:432:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 432 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgv_c.c:229:50: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 229 | Integer i, j, k, isize, msize, me, nproc; | ^~~~~ Compiling pdspgvx.c... pdspgvx.c: In function 'pdspgvx': pdspgvx.c:422:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 422 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 423 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspgvx.c:422:45: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 422 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 423 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspgvx.c:466:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 466 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 467 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspgvx.c:466:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 466 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 467 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspgvx.c:512:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 512 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 513 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspgvx.c:512:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 512 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 513 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspgvx.c:532:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 532 | fprintf( stderr, " %s me = %d mapA,B,Z differ \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:557:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 557 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:710:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 710 | fprintf(stderr, " %s me = %d choleski returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:710:64: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 710 | fprintf(stderr, " %s me = %d choleski returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:740:38: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 740 | fprintf(stderr, " %s me = %d inverseL returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:740:66: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 740 | fprintf(stderr, " %s me = %d inverseL returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:828:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 828 | fprintf(stderr, " %s me = %d pdspevx returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:828:61: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 828 | fprintf(stderr, " %s me = %d pdspevx returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld Compiling pdsptri.c... pdsptri.c: In function 'pdsptri': pdsptri.c:350:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 350 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 351 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdsptri.c:350:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 350 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 351 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdsptri.c:413:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 414 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdsptri.c:413:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 414 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdsptri.c:534:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 534 | fprintf(stderr, " %s me = %d pstebz returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdsptri.c:534:60: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 534 | fprintf(stderr, " %s me = %d pstebz returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdsptri.c:573:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 573 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdsptri.c:573:62: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 573 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld Compiling peigs_cmod.f... Compiling pipe_fut.c... pipe_fut.c: In function 'pipe_bcst_fut_col': pipe_fut.c:85:27: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 85 | Integer *junk, *ptr, k, isize; | ^~~~~ Compiling pmmLSL.c... pmmLSL.c: In function 'pmmLSL': pmmLSL.c:92:64: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 92 | Integer i, k, me, isize, indx, i_A, i_B, nvecsA, nvecsB; | ^~~~~~ Compiling pmmLUL.c... pmmLUL.c: In function 'pmmLUL': pmmLUL.c:96:73: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 96 | Integer i, k, me, isize, isize0, indx, i_A, i_B, nvecsA, nvecsB; | ^~~~~~ Compiling pmmlsl2.c... pmmlsl2.c: In function 'pmmlsl2': pmmlsl2.c:91:28: warning: variable 'scratch' set but not used [-Wunused-but-set-variable] 91 | DoublePrecision *d_ptr, *scratch, *buff, **b_ptr, **matrix2; | ^~~~~~~ pmmlsl2.c:90:48: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 90 | Integer me, isize, indx, nvecsA, nvecsB; | ^~~~~~ Compiling pxerbla.c... pxerbla.c: In function 'pxerbla2_': pxerbla.c:128:37: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 128 | fprintf(stderr, "PXERBLA: Node %d Error: Number of processors in Proc List exceeds number allocated \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling qsort.c... Compiling resid.c... Compiling residual.c... Compiling sfnorm.c... Compiling shellsort.c... Compiling soluf.c... soluf.c: In function 'upperUF_': soluf.c:91:19: warning: variable 'safeulp' set but not used [-Wunused-but-set-variable] 91 | DoublePrecision safeulp; | ^~~~~~~ Compiling sonenorm.c... Compiling soort.c... Compiling sort.c... sort.c: In function 'G_count': sort.c:43:18: warning: variable 'k' set but not used [-Wunused-but-set-variable] 43 | Integer i, j, *k; | ^ Compiling sorteig.c... sorteig.c: In function 'sorteig': sorteig.c:61:27: warning: variable 'naproc' set but not used [-Wunused-but-set-variable] 61 | Integer me, naproc, nvecsZ, indx, jj, isaved, jlast, itmp, | ^~~~~~ Compiling tred22.c... tred22.c: In function 'tred2': tred22.c:328:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 328 | fprintf(stderr, "node = %d NULL vector assignment in vecA \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld tred22.c:354:43: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 354 | sprintf(msg, "TRED22:Error in argument %d \n", linfo); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld Compiling treesort3.c... treesort3.c: In function 'reduce_list3': treesort3.c:109:12: warning: variable 'junk' set but not used [-Wunused-but-set-variable] 109 | Integer *junk, k, num_indx; | ^~~~ Compiling tresid.c... tresid.c: In function 'tresid': tresid.c:118:44: warning: variable 'dumb' set but not used [-Wunused-but-set-variable] 118 | DoublePrecision t, derror, normA, ulp, dumb; | ^~~~ Compiling util.c... Compiling xerbla.c... xerbla.c: In function 'xerbla': xerbla.c:45:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 45 | fprintf(stdout, " processor %d \n", mxmynd_()); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld xerbla.c:46:57: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 46 | fprintf(stdout, " ** On entry to %s parameter number %d had an illegal value or pointer \n", | ~^ | | | int | %ld 47 | string, *info ); | ~~~~~ | | | Integer {aka long int} Compiling mapchk.c... mapchk.c: In function 'mapchk_': mapchk.c:59:3: warning: this 'for' clause does not guard... [-Wmisleading-indentation] 59 | for (indx = 0; indx < *n; indx++ ) | ^~~ mapchk.c:64:6: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'for' 64 | iptr++; | ^~~~ Compiling pdiff.c... pdiff.c: In function 'pdiff': pdiff.c:104:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 104 | fprintf( stderr, " Error in pdiff. me = %d not in proclist. \n", me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdiff.c:131:58: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 131 | fprintf( stderr, " %s %s is different on processors %d and %d \n", | ~^ | | | int | %ld 132 | msg1, msg2, me, last_proc ); | ~~ | | | Integer {aka long int} pdiff.c:131:65: warning: format '%d' expects argument of type 'int', but argument 6 has type 'Integer' {aka 'long int'} [-Wformat=] 131 | fprintf( stderr, " %s %s is different on processors %d and %d \n", | ~^ | | | int | %ld 132 | msg1, msg2, me, last_proc ); | ~~~~~~~~~ | | | Integer {aka long int} Compiling pgexit.c... pgexit.c: In function 'pgexit': pgexit.c:85:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 85 | fprintf( stderr, " %s me = %d exiting via pgexit. \n", msg, mxmynd_() ); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld Compiling reducemap.c... Compiling pstebz10.c... pstebz10.c: In function 'pstebz10_': pstebz10.c:244:20: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 244 | DoublePrecision eps, tmp; | ^~~ pstebz10.c:229:24: warning: variable 'safemn' set but not used [-Wunused-but-set-variable] 229 | DoublePrecision ulp, safemn, onenrm; | ^~~~~~ pstebz10.c:229:19: warning: variable 'ulp' set but not used [-Wunused-but-set-variable] 229 | DoublePrecision ulp, safemn, onenrm; | ^~~ pstebz10.c:226:11: warning: variable 'j' set but not used [-Wunused-but-set-variable] 226 | Integer j, i, i1split, jsplit, blksz; | ^ pstebz10.c:225:5: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 225 | nproc, msize, maxinfo, *i_work, *proclist; | ^~~~~ pstebz10.c:512:21: warning: 'nhigh' may be used uninitialized [-Wmaybe-uninitialized] 512 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz10.c:223:5: note: 'nhigh' was declared here 223 | nhigh, numeig, isize, linfo, | ^~~~~ pstebz10.c:512:21: warning: 'nlow' may be used uninitialized [-Wmaybe-uninitialized] 512 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz10.c:224:13: note: 'nlow' was declared here 224 | iii, m, nlow, me, nn_procs, | ^~~~ Compiling pstebz11.c... pstebz11.c: In function 'pstebz11_': pstebz11.c:246:37: warning: unused variable 'shift' [-Wunused-variable] 246 | DoublePrecision leig, reig, eps, shift, tmp1, dummy, tmp; | ^~~~~ pstebz11.c:246:26: warning: variable 'reig' set but not used [-Wunused-but-set-variable] 246 | DoublePrecision leig, reig, eps, shift, tmp1, dummy, tmp; | ^~~~ pstebz11.c:228:6: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 228 | nproc, msize, maxinfo, *i_work, *proclist; | ^~~~~ pstebz11.c:227:30: warning: unused variable 'k' [-Wunused-variable] 227 | iii, m, nlow, me, ncol, k, nn_procs, | ^ pstebz11.c:226:34: warning: unused variable 'ival' [-Wunused-variable] 226 | nhigh, numeig, irem, isize, ival, linfo, | ^~~~ pstebz11.c:225:20: warning: unused variable 'indx' [-Wunused-variable] 225 | Integer indx, il, iu, ifakeme, itype, | ^~~~ pstebz11.c:221:19: warning: unused variable 'cptr' [-Wunused-variable] 221 | char msg[35], *cptr; | ^~~~ pstebz11.c:496:21: warning: 'nhigh' may be used uninitialized [-Wmaybe-uninitialized] 496 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz11.c:226:6: note: 'nhigh' was declared here 226 | nhigh, numeig, irem, isize, ival, linfo, | ^~~~~ pstebz11.c:496:21: warning: 'nlow' may be used uninitialized [-Wmaybe-uninitialized] 496 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz11.c:227:14: note: 'nlow' was declared here 227 | iii, m, nlow, me, ncol, k, nn_procs, | ^~~~ Compiling inv_it4.c... inv_it4.c: In function 'inv_it4': inv_it4.c:78:23: warning: variable 'sep' set but not used [-Wunused-but-set-variable] 78 | DoublePrecision xj, sep; | ^~~ inv_it4.c:76:43: warning: variable 'indrv5' set but not used [-Wunused-but-set-variable] 76 | Integer indrv1, indrv2, indrv3, indrv4, indrv5; | ^~~~~~ Compiling inv_it5.c... inv_it5.c: In function 'inv_it5': inv_it5.c:72:23: warning: variable 'sep' set but not used [-Wunused-but-set-variable] 72 | DoublePrecision xj, sep; | ^~~ Compiling inv_it3.c... Compiling peigs_tldlfact.c... Compiling clustrf5.c... clustrf5.c: In function 'clustrf5_': clustrf5.c:188:19: warning: variable 'ortol' set but not used [-Wunused-but-set-variable] 188 | DoublePrecision ortol, xj, sepfine; | ^~~~~ clustrf5.c:451:15: warning: 'xjm' may be used uninitialized [-Wmaybe-uninitialized] 451 | sep = xj - xjm; | ~~~~^~~~~~~~~~ clustrf5.c:187:19: note: 'xjm' was declared here 187 | DoublePrecision xjm, eps1; | ^~~ Compiling r_ritz.c... r_ritz.c: In function 'r_ritz_': r_ritz.c:32:27: warning: variable 'dscrat' set but not used [-Wunused-but-set-variable] 32 | DoublePrecision *dptr, *dscrat; | ^~~~~~ r_ritz.c:32:20: warning: variable 'dptr' set but not used [-Wunused-but-set-variable] 32 | DoublePrecision *dptr, *dscrat; | ^~~~ Compiling gdot.F... ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpeigs.a clustrfix.o mgscs.o pscale.o clustrxx5.o clustrxx4.o pstein4.o pstein5.o peigs_dlasq1.o b_ortho.o chol_bcst.o choleski9.o ci_entry.o conjug22.o de_sym.o exit.o exit2.o forLL.o forLU.o gmax.o inverse.o lu_mxm2.o mapdif.o mapdif1.o matmax.o mdif2b.o mdiff1.o mdiff2.o memreq.o memreq_f.o mgs5.o mxm25.o mxm5x.o mxm88.o mxm_ll1.o onenorm.o ortho.o pdspev_c.o pdspevx.o pdspgv_c.o pdspgvx.o pdsptri.o peigs_cmod.o pipe_fut.o pmmLSL.o pmmLUL.o pmmlsl2.o pxerbla.o qsort.o resid.o residual.o sfnorm.o shellsort.o soluf.o sonenorm.o soort.o sort.o sorteig.o tred22.o treesort3.o tresid.o util.o xerbla.o mapchk.o pdiff.o pgexit.o reducemap.o pstebz10.o pstebz11.o inv_it4.o inv_it5.o inv_it3.o peigs_tldlfact.o clustrf5.o r_ritz.o gdot.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpeigs.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/peigs/src/c' (cd ./src/f77; make) make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/peigs/src/f77' Compiling inverm.F... inverm.F:497:72: 497 | IC = ICD | ^ Warning: 'icd' may be used uninitialized [-Wmaybe-uninitialized] inverm.F:422:22: 422 | INTEGER I,IC,ICD,IC0,IC1,IC2,MK1,MK2,MMAX | ^ note: 'icd' was declared here Compiling damax.f... Compiling dlaebz2.F... Compiling dstebz3.F... Compiling heapsort.f... dstebz3.F:501:18: 501 | IF( GU.LT.WL ) THEN | ^ Warning: 'wl' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:58: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wl' was declared here dstebz3.F:570:39: 570 | IF( W( JE ).LE.WLU .AND. IDISCL.GT.0 ) THEN | ^ Warning: 'wlu' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:63: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wlu' was declared here dstebz3.F:507:72: 507 | GU = MIN( GU, WU ) | ^ Warning: 'wu' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:67: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wu' was declared here dstebz3.F:572:44: 572 | ELSE IF( W( JE ).GE.WUL .AND. IDISCU.GT.0 ) THEN | ^ Warning: 'wul' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:72: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wul' was declared here Compiling neblw2.F... neblw2.F:123:72: 123 | RETURN | ^ Warning: '__result_neblw2' may be used uninitialized [-Wmaybe-uninitialized] neblw2.F:35:29: 35 | INTEGER FUNCTION NEBLW2(N, V, D, E, WORK, INFO ) | ^ note: '__result_neblw2' was declared here Compiling dgetavec.F... Compiling dgetavec2.f... Compiling dgetavec3.f... Compiling types1.f... Compiling xerbl2.f... Compiling menode.f... Compiling pairup.f... Compiling xstop.f... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/peigs/src/f77' (cd ./comm; make) make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/peigs/comm' Compiling mxbrod.F... mxbrod.F:84:20: 84 | integer srcpos | ^ Warning: 'srcpos' may be used uninitialized [-Wmaybe-uninitialized] Compiling mxcombv1.F... mxcombv1.F:135:28: 135 | integer prtnr, prtlpos | ^ Warning: 'prtlpos' may be used uninitialized [-Wmaybe-uninitialized] Compiling mxsubs.F... mxsubs.F:571:21: 571 | ireslt = mxwrit (data,isize,ito,itype) | ^ Warning: 'ireslt' may be used uninitialized [-Wmaybe-uninitialized] Compiling sum.F... Compiling maxx.F... Compiling peigs_dgop.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/peigs/comm' (cd ./ctof; make) make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/peigs/ctof' Compiling bortho_f.c... bortho_f.c: In function 'bortho_': bortho_f.c:120:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 120 | "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 121 | *m, *n, me); | ~~ | | | Integer {aka long int} bortho_f.c:120:57: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 120 | "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 121 | *m, *n, me); | ~~ | | | Integer {aka long int} bortho_f.c:120:67: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 120 | "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 121 | *m, *n, me); | ~~ | | | Integer {aka long int} Compiling mxm25_f.c... Compiling mxm5x_f.c... Compiling mxm88_f.c... Compiling onenorm_f.c... Compiling ortho_f.c... ortho_f.c: In function 'ortho_': ortho_f.c:115:46: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 115 | "Error in routine ortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 116 | *m, *n, me); | ~~ | | | Integer {aka long int} ortho_f.c:115:56: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 115 | "Error in routine ortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 116 | *m, *n, me); | ~~ | | | Integer {aka long int} ortho_f.c:115:66: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 115 | "Error in routine ortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 116 | *m, *n, me); | ~~ | | | Integer {aka long int} Compiling pdspev_f.c... pdspev_f.c: In function 'pdspev_': pdspev_f.c:147:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 147 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 148 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspev_f.c:147:45: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 147 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 148 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspev_f.c:159:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 159 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling pdspevx_f.c... pdspevx_f.c: In function 'pdspevx_': pdspevx_f.c:170:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 170 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 171 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspevx_f.c:170:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 170 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 171 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspevx_f.c:182:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 182 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling pdspgv_f.c... pdspgv_f.c: In function 'pdspgv_': pdspgv_f.c:159:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 159 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 160 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspgv_f.c:159:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 159 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 160 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspgv_f.c:172:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 172 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling pdspgvx_f.c... pdspgvx_f.c: In function 'pdspgvx_': pdspgvx_f.c:179:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 179 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 180 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspgvx_f.c:179:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 179 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 180 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspgvx_f.c:192:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 192 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling resid_f.c... Compiling residual_f.c... Compiling sonenorm_f.c... Compiling tresid_f.c... Compiling choleski_f.c... Compiling inverse_f.c... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/peigs/ctof' rm -f libpeigs.a ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpeigs.a comm/*.o ctof/*.o src/c/*.o src/f77/*.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpeigs.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpeigs.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/peigs' touch peigs_stamp.LINUX64 make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/peigs' Making libraries in perfm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/perfm' Compiling perfm_start.F... Compiling perfm_end.F... Compiling perfm_flop.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/perfm' Compiling dist.c... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/perfm' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/perfm' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libperfm.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libperfm.a perfm_start.o perfm_end.o perfm_flop.o dist.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libperfm.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libperfm.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libperfm.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/perfm' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/perfm' Making libraries in bq make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/bq' Compiling bq_input.F... bq_input.F:49:56: 49 | if (.not. rtdb_get(rtdb, 'bq:max_nbq', mt_int, 1, max_nbq)) | 1 ...... 523 | & mt_dbl,ncenter_tmp,charge)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling bq_data.F... Compiling bq_rtdb.F... bq_rtdb.F:109:50: 102 | if(.not. rtdb_put(irtdb,tag,mt_int,1,ncent)) | 2 ...... 109 | if(.not. rtdb_put(irtdb,tag,mt_dbl,3*ncent,dbl_mb(i_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling bq_main.F... Compiling bq_force.F... Compiling bq_checksum.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/bq' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libbq.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libbq.a bq_input.o bq_data.o bq_rtdb.o bq_main.o bq_force.o bq_checksum.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libbq.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libbq.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libbq.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/bq' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/bq' Making libraries in cons make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cons' Compiling cons_input.F... Compiling cons.F... Compiling cons_utils.F... cons.F:564:20: 564 | > mt_int,1,nfa) | 1 ...... 925 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling cons_springs.F... Compiling cons_rtdb.F... cons_springs.F:184:52: 60 | status=rtdb_get(rtdb,tag_n,mt_int,1,nhb) | 2 ...... 184 | if(rtdb_get(rtdb, 'cons:simulate', mt_log, 1, status)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling cons_data.F... cons_rtdb.F:1041:21: 1014 | if(.not.rtdb_get(rtdb,tag_n,mt_int,1,nc)) then | 2 ...... 1041 | > mt_dbl,nc,dbl_mb(i_tmp_k)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cons_rtdb.F:31:41: 25 | if(.not.rtdb_put(rtdb,tag,mt_log,1,.true.)) | 2 ...... 31 | if(.not.rtdb_put(rtdb,tag,mt_int,1,0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cons' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libcons.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libcons.a cons_input.o cons.o cons_utils.o cons_springs.o cons_rtdb.o cons_data.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libcons.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libcons.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libcons.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cons' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cons' Making libraries in NWints make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints' Compiling intgrl_input.F... Making all in simint make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/simint' Making all in module make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/simint/module' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/simint/module' Compiling nwcsim_module.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/simint/module' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/simint/module' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a nwcsim_module.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/simint/module' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/simint/module' Making all in source make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/simint/source' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/simint/source' Compiling nwcsim_facef90.F... Compiling nwcsim_hf2.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/simint/source' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/simint/source' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a nwcsim_facef90.o nwcsim_hf2.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/simint/source' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/simint/source' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/simint' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/simint' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/simint' Making all in api make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/api' Compiling cando_sp.F... cando_sp.F:294:0: 294 | #define USE_TEXAS | Warning: "USE_TEXAS" redefined :11:0: note: this is the location of the previous definition Compiling exact_mem.F... Compiling exactd_mem.F... exact_mem.F:71:54: 62 | if (.not.(rtdb_get(rtdb,'int:full_mem',Mt_Log,1,o_do_full))) | 2 ...... 71 | if (.not. rtdb_get(rtdb,'int:mem2emax',Mt_Int,1,mem2emax)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling int_1cg.F... Compiling int_1e3ov.F... Compiling int_1estv.F... Compiling int_2e2c.F... int_2e2c.F:58:0: 58 | #define USE_TEXAS | Warning: "USE_TEXAS" redefined :11:0: note: this is the location of the previous definition Compiling int_2e3c.F... Compiling int_acc.F... Compiling int_canon.F... Compiling int_chk_init.F... Compiling int_chk_sh.F... Compiling int_func_c.F... Compiling int_init.F... int_init.F:82:47: 82 | if (rtdb_get(rtdb,'int:acc_std',mt_dbl,1,val_int_acc_std)) then | 1 ...... 309 | if (rtdb_get(rtdb,'int:cando_sp',MT_LOG,1,status)) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling int_l1e3ov.F... Compiling int_l1eall.F... Compiling int_l1eh1.F... Compiling int_l1eke.F... Compiling int_l1eov.F... Compiling int_l1epe.F... Compiling int_l2e2c.F... Compiling int_l2e3c.F... Compiling int_lgen1e.F... Compiling int_mem.F... Compiling int_mpolel.F... Compiling int_mpole.F... int_mpole.F:315:72: 315 | if (Li.eq.-1) i_gen = i_gen_save | ^ Warning: 'i_gen_save' may be used uninitialized [-Wmaybe-uninitialized] int_mpole.F:103:24: 103 | integer i_gen_save, j_gen_save | ^ note: 'i_gen_save' was declared here int_mpole.F:316:72: 316 | if (Lj.eq.-1) j_gen = j_gen_save | ^ Warning: 'j_gen_save' may be used uninitialized [-Wmaybe-uninitialized] int_mpole.F:103:36: 103 | integer i_gen_save, j_gen_save | ^ note: 'j_gen_save' was declared here Compiling int_nint.F... Compiling int_pgen1e.F... Compiling int_projpole.F... int_projpole.F:168:72: 168 | if (Li.eq.-1) i_gen = i_gen_save | ^ Warning: 'i_gen_save' may be used uninitialized [-Wmaybe-uninitialized] int_projpole.F:88:24: 88 | integer i_gen_save | ^ note: 'i_gen_save' was declared here Compiling int_term.F... Compiling intd_1eh1.F... Compiling intd_1eov.F... Compiling intd_1eke.F... Compiling int_1er.F... Compiling intd_2e2c.F... Compiling intd_2e3c.F... Compiling intd_2e4c.F... intd_2e4c.F:258:33: 258 | call ycopy((nint_ck*3*4),0.0d00,0,eri,1) | 1 ...... 565 | call ycopy((nint_x*lda),eri,1,scr,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) intd_2e4c.F:286:21: 286 | call ycopy(3,0.0d00,0,roff,1) | 1 ...... 565 | call ycopy((nint_x*lda),eri,1,scr,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) intd_2e4c.F:307:31: 307 | call ycopy(nintzero, 0.0d0, 0, eri, 1) | 1 ...... 565 | call ycopy((nint_x*lda),eri,1,scr,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling intd_init.F... intd_init.F:368:50: 198 | if (rtdb_get(rtdb,'intd:cando_txs',MT_LOG,1,status)) | 2 ...... 368 | if (rtdb_get(rtdb,'intd:approxmem',MT_INT,1,intd_memtmp)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling intd_1e3ov.F... Compiling intbd_init4c.F... Compiling intbd_2e4c.F... intbd_2e4c.F:283:29: 227 | call ycopy (numint,eri,1,scr,1) | 2 ...... 283 | call ycopy((12*nint_s),0.0d00,0,eri,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) intbd_2e4c.F:293:32: 227 | call ycopy (numint,eri,1,scr,1) | 2 ...... 293 | call ycopy((3*nint_s),0.0d00,0, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling intbdd_init4c.F... Compiling intbdd_2e4c.F... intbdd_2e4c.F:236:25: 236 | call ycopy (numint,eri,1,scr,1) | 1 ...... 286 | call ycopy((78*nint_s),0.0d00,0,eri,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling intd_mpolel.F... Compiling intdd_1eh1.F... Compiling intdd_1eov.F... Compiling intdd_2e2c.F... Compiling intdd_2e4c.F... Compiling intdd_2e3c.F... Compiling intdd_init.F... intdd_init.F:228:51: 96 | if (rtdb_get(rtdb,'intdd:cando_txs',MT_LOG,1,status)) | 2 ...... 228 | if (rtdb_get(rtdb,'intdd:approxmem',MT_INT,1,intd_memtmp)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling intp_1eke.F... Compiling intp_1eov.F... Compiling intp_1epe.F... Compiling intp_2e2c.F... Compiling intp_2e3c.F... Compiling intp_mpole.F... intp_mpole.F:203:72: 203 | if (Li.eq.-1) i_gen = i_gen_save | ^ Warning: 'i_gen_save' may be used uninitialized [-Wmaybe-uninitialized] intp_mpole.F:83:24: 83 | integer i_gen_save, j_gen_save | ^ note: 'i_gen_save' was declared here intp_mpole.F:204:72: 204 | if (Lj.eq.-1) j_gen = j_gen_save | ^ Warning: 'j_gen_save' may be used uninitialized [-Wmaybe-uninitialized] intp_mpole.F:83:36: 83 | integer i_gen_save, j_gen_save | ^ note: 'j_gen_save' was declared here Compiling intp_1e1cpe.F... Compiling intp_2e3ct.F... Compiling intp_mpolel.F... intp_mpolel.F:202:10: 202 | if ((num_int+l_int*ij_int_x).gt.lmpint) then | ^ Warning: 'num_int' is used uninitialized [-Wuninitialized] intp_mpolel.F:121:46: 121 | integer l_int, ij_int, ij_int_x, num_int | ^ note: 'num_int' declared here Compiling intp_txyz.F... Compiling intpd_1e1cpe.F... Compiling intpd_1eke.F... Compiling intpd_1eov.F... Compiling intpd_1epe.F... Compiling intpd_2e2c.F... Compiling intpd_2e3c.F... Compiling intpd_2e3ct.F... Compiling intpd_mpolel.F... Compiling intso_1e.F... Compiling intd_1eso.F... Compiling int_1epvpe.F... Compiling int_1epxvpe.F... Compiling int_vstat1e.F... Compiling intdd_1eecp1.F... Compiling int_1eelec.F... Compiling int_giaoh01.F... Compiling int_giaoh11.F... Compiling int_giaol10.F... Compiling int_giaos10.F... Compiling int_giaotv10.F... Compiling int_giaobq10.F... Compiling int_giao_2e.F... Compiling int_pso.F... Compiling int_dso.F... Compiling int_ops.F... Compiling intd_1epot.F... Compiling intd_1epot_cosmo.F... Compiling int_veloc.F... Compiling int_angmom.F... Compiling int_giaos100.F... Compiling cosmo_screen.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/api' Compiling int_hf1sp.F... int_hf1sp.F:597:56: 597 | c:tex-10 & (x$|$z) & (y$|$x) & 10 $\rightarrow$ 8 \\ | Warning: backslash and newline separated by space Compiling int_l2e4c.F... Compiling intb_init4c.F... Compiling intb_2e4c.F... Compiling int_2e4c.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/api' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/api' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a cando_sp.o exact_mem.o exactd_mem.o int_1cg.o int_1e3ov.o int_1estv.o int_2e2c.o int_2e3c.o int_acc.o int_canon.o int_chk_init.o int_chk_sh.o int_func_c.o int_init.o int_l1e3ov.o int_l1eall.o int_l1eh1.o int_l1eke.o int_l1eov.o int_l1epe.o int_l2e2c.o int_l2e3c.o int_lgen1e.o int_mem.o int_mpolel.o int_mpole.o int_nint.o int_pgen1e.o int_projpole.o int_term.o intd_1eh1.o intd_1eov.o intd_1eke.o int_1er.o intd_2e2c.o intd_2e3c.o intd_2e4c.o intd_init.o intd_1e3ov.o intbd_init4c.o intbd_2e4c.o intbdd_init4c.o intbdd_2e4c.o intd_mpolel.o intdd_1eh1.o intdd_1eov.o intdd_2e2c.o intdd_2e4c.o intdd_2e3c.o intdd_init.o intp_1eke.o intp_1eov.o intp_1epe.o intp_2e2c.o intp_2e3c.o intp_mpole.o intp_1e1cpe.o intp_2e3ct.o intp_mpolel.o intp_txyz.o intpd_1e1cpe.o intpd_1eke.o intpd_1eov.o intpd_1epe.o intpd_2e2c.o intpd_2e3c.o intpd_2e3ct.o intpd_mpolel.o intso_1e.o intd_1eso.o int_1epvpe.o int_1epxvpe.o int_vstat1e.o intdd_1eecp1.o int_1eelec.o int_giaoh01.o int_giaoh11.o int_giaol10.o int_giaos10.o int_giaotv10.o int_giaobq10.o int_giao_2e.o int_pso.o int_dso.o int_ops.o intd_1epot.o intd_1epot_cosmo.o int_veloc.o int_angmom.o int_giaos100.o cosmo_screen.o int_hf1sp.o int_l2e4c.o intb_init4c.o intb_2e4c.o int_2e4c.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/api' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/api' Making all in int make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/int' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/int' Compiling hf3PEabc.F... Compiling hf3mkr.f... Compiling hf3pot.F... Compiling defNxyz.F... Compiling getNxyz.F... Compiling matchNxyz.F... Compiling hf1.F... Compiling hf1mke3.f... hf1.F:190:72: 190 | i_ptr = i_Ep + 3*NPP*(MXD+1)*lprod | ^ Warning: 'npp' may be used uninitialized [-Wmaybe-uninitialized] hf1.F:31:25: 31 | integer MXD,NCP,NPP,La2,Lb2,Li,Lp,Lp3,MaxMem,nintlocal,lprod,nd | ^ note: 'npp' declared here Compiling hf1mkr.f... Compiling hf1set3.F... Compiling hf2.F... Compiling hf2mkr.F... Compiling hf2oi.f... Compiling hf3OIs.f... Compiling hfabc.f... Compiling hfctr3.f... Compiling hferi.F... Compiling hferi_gen.F... Compiling hfkei.f... Compiling hfmke.F... Compiling hfmkr.F... Compiling hfnai.f... Compiling hfset.F... Compiling igamma.F... Compiling hf_print.f... Compiling hfreord_pq.f... Compiling hf1_tran.F... Compiling hf1_er.F... Compiling hfnai_er.F... Compiling case_impl.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/int' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/int' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a hf3PEabc.o hf3mkr.o hf3pot.o defNxyz.o getNxyz.o matchNxyz.o hf1.o hf1mke3.o hf1mkr.o hf1set3.o hf2.o hf2mkr.o hf2oi.o hf3OIs.o hfabc.o hfctr3.o hferi.o hferi_gen.o hfkei.o hfmke.o hfmkr.o hfnai.o hfset.o igamma.o hf_print.o hfreord_pq.o hf1_tran.o hf1_er.o hfnai_er.o case_impl.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/int' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/int' Making all in auxil make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/auxil' Compiling do_chk_sum.F... Compiling intb_chk_sum.F... intb_chk_sum.F:129:21: 72 | if (rtdb_get(rtdb,'intcsum:b2e4cprint',MT_LOG,1,dumm69)) then | 2 ...... 129 | & MT_INT,1,int_tmp)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling xlmcoeff.F... Compiling xlm_norm.F... Compiling int_spcart2.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/auxil' Compiling int_norm.F... Compiling nmcoef.F... Compiling int_norm_2c.F... Compiling int_chk_sum.F... Compiling int_spcart.F... Compiling nmcoef2c.F... int_spcart.F:824:39: 824 | call ycopy((ndima*(2*ls+1)*ngls),0.0d00,0,blockout,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:935:45: 935 | call ycopy((ndima*ndimb*(2*ls+1)*ngls),0.0d00,0,blockout,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:704:39: 704 | call ycopy((ndima*(2*ls+1)*ngls),0.0d00,0,blockout,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3050:27: 3050 | call ycopy((ni*nj),0.0d00,0,dbl_mb(k_slice),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:324:29: 324 | call ycopy((ld2s*ld2s),0.0d00,0,dbl_mb(k_ov),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:328:33: 328 | call ycopy((ld2s*(2*ld+1)),0.0d00,0,dbl_mb(k_scr),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3155:20: 3155 | call ycopy (3,0.0d00,0,xyz,1) ! do it at the origin | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3186:26: 3186 | call ycopy(scr_size,0.0d00,0,dbl_mb(k_scr),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3191:33: 3191 | call ycopy((rankov*rankov),0.0d00,0,overlap,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:414:34: 414 | call ycopy ((2*Ld+1)*(Ld+1),0.0d00,0,cart_scale,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:79:27: 79 | call ycopy(size_sp2c,0.0d00,0,dbl_mb(k_sp2c),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:113:30: 113 | call ycopy(l_block_size,0.0d00,0,dbl_mb(k_sp2c_cmp),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:121:30: 121 | call ycopy(l_block_size,0.0d00,0,dbl_mb(k_invsp2c_cmp),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:130:43: 130 | call ycopy(((2*lmaxin+1)*(lmaxin+1)),0.0d00,0, | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3113:29: 3113 | call ycopy((ni*nj),0.0d00,0,dbl_mb(k_slice),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/auxil' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/auxil' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a do_chk_sum.o intb_chk_sum.o xlmcoeff.o xlm_norm.o int_spcart2.o int_norm.o nmcoef.o int_norm_2c.o int_chk_sum.o int_spcart.o nmcoef2c.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/auxil' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/auxil' Making all in ints_sp make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/ints_sp' Compiling sp1111.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/ints_sp' Compiling genr70.F... Compiling init70.F... Compiling qout70.F... Compiling sinfo.F... Compiling sp0000.F... Compiling sp0001.F... Compiling sp0011.F... Compiling sp0101.F... Compiling sp0111.F... Compiling tabgen.f... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/ints_sp' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/ints_sp' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a sp1111.o genr70.o init70.o qout70.o sinfo.o sp0000.o sp0001.o sp0011.o sp0101.o sp0111.o tabgen.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/ints_sp' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/ints_sp' Making all in deriv make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/deriv' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/deriv' Compiling hf1d.F... Compiling hf2d.F... Compiling hfd2oi.f... Compiling hfderi.F... Compiling hfdkei.F... Compiling hfdnai.f... hfderi.F:246:16: 246 | if( kl.gt.ij ) go to 480 | ^ Warning: 'ij' may be used uninitialized [-Wmaybe-uninitialized] hfderi.F:120:15: 120 | ij = (ma*(ma-1))/2 + mb | ^ note: 'ij' was declared here Compiling hfefi.f... Compiling hf2d_2a.F... Compiling hf2d_2b.F... Compiling hf2d_2a2b.F... Compiling hf2d_3a.F... Compiling hf2d_3a2b.F... Compiling hf2d_all.F... Compiling hf1PRtoAB.f... Compiling hf2PRtoAB.f... Compiling hf2QStoCD.f... Compiling hfd3oi.F... Compiling hf1d_cosmo.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/deriv' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/deriv' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a hf1d.o hf2d.o hfd2oi.o hfderi.o hfdkei.o hfdnai.o hfefi.o hf2d_2a.o hf2d_2b.o hf2d_2a2b.o hf2d_3a.o hf2d_3a2b.o hf2d_all.o hf1PRtoAB.o hf2PRtoAB.o hf2QStoCD.o hfd3oi.o hf1d_cosmo.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/deriv' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/deriv' Making all in texas make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/texas' Compiling abcd.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/texas' Compiling texas_face.F... texas_face.F:1064:72: 1064 | * iprint,ncs,inx(inxx),ntxs_scr_size) | 1 Warning: Type mismatch in argument 'ishell_blk' at (1); passed REAL(8) to INTEGER(8) texas_face.F:1463:48: 1353 | if (rtdb_get(rtdb,'int:txs:icheck',MT_INT,1,int_tmp)) then | 2 ...... 1463 | if (rtdb_get(rtdb,'int:txs:limi',MT_INT,3,rtdblim)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) texas_face.F:1552:19: 1552 | common /ganz/ ll9(9) ,na,nn4(4) | 1 Warning: Named COMMON block 'ganz' at (1) shall be of the same size as elsewhere (112 vs 672 bytes) texas_face.F:1159:19: 1159 | common /ganz/ lcore,iov,last,nganz(67) | 1 Warning: Named COMMON block 'ganz' at (1) shall be of the same size as elsewhere (560 vs 672 bytes) texas_face.F:523:25: 523 | common /ctxs_index/ maxsh,ifp,inx(mxsh) | 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (1520016 vs 24 bytes) texas_face.F:1757:25: 1757 | common /ctxs_index/ maxsh,ifp,inx(1) | 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (24 vs 1520016 bytes) texas_face.F:1917:25: 1917 | common /ctxs_index/ maxsh,ifp,inx(1) | 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (24 vs 1520016 bytes) Compiling texas_hf.F... texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'ncshell' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'icstxs' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'jcstxs' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'kcstxs' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'lcstxs' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'klblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isupblk' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'nblock1_back' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'iqorder' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:485:72: 485 | * bl(iqorder),ngcont) | 1 Warning: Type mismatch in argument 'itxspnl' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:485:72: 485 | * bl(iqorder),ngcont) | 1 Warning: Type mismatch in argument 'iqorder' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:493:72: 493 | call supblks_point(nsupblk,bl(isblsize),bl(isblpoint)) | 1 Warning: Type mismatch in argument 'isbl_size' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:493:72: 493 | call supblks_point(nsupblk,bl(isblsize),bl(isblpoint)) | 1 Warning: Type mismatch in argument 'isbl_point' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'maxsize' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'maxpair' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'klblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_point' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'klblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_split' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:521:72: 521 | call blk_capab(nbl2,bl(npard),bl(isblsize),nquart,nquartot) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:521:72: 521 | call blk_capab(nbl2,bl(npard),bl(isblsize),nquart,nquartot) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:936:72: 936 | call tfer_i(bltxs(npard_R), blscr(npard), npard_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:936:72: 936 | call tfer_i(bltxs(npard_R), blscr(npard), npard_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:937:72: 937 | call tfer_i(bltxs(mxsize_R),blscr(mxsize), mxsize_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:937:72: 937 | call tfer_i(bltxs(mxsize_R),blscr(mxsize), mxsize_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:938:72: 938 | call tfer_i(bltxs(mxpair_R),blscr(mxpair), mxpair_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:938:72: 938 | call tfer_i(bltxs(mxpair_R),blscr(mxpair), mxpair_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:939:72: 939 | call tfer_i(bltxs(nblock1_R),blscr(nblock1), nblock1_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:939:72: 939 | call tfer_i(bltxs(nblock1_R),blscr(nblock1), nblock1_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:941:72: 941 | * (bltxs(nblock1_back_R),blscr(nblock1_back), nblock1_back_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:941:72: 941 | * (bltxs(nblock1_back_R),blscr(nblock1_back), nblock1_back_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) Compiling big_service.F... big_service.F:805:72: 805 | s=zero | ^ Warning: 'zero' is used uninitialized [-Wuninitialized] big_service.F:805:12: 805 | s=zero | ^ note: 'zero' was declared here Compiling getmem.F... Compiling amshift.F... amshift.F:82:72: 82 | call make_indxx(bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:141:72: 141 | * bl(indxx),lni*lnj,lnk*lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:168:72: 168 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:180:72: 180 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:195:72: 195 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:219:72: 219 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:251:72: 251 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:299:72: 299 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:341:72: 341 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) Compiling assemblx.F... assemblx.F:1438:72: 1438 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1456:72: 1456 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1473:72: 1473 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1491:72: 1491 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1506:72: 1506 | * bl(indx),ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1519:72: 1519 | * bl(indx), ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1531:72: 1531 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1543:72: 1543 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1555:72: 1555 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1567:72: 1567 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1582:72: 1582 | * lck,lcij,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1593:72: 1593 | * lcl,lcij,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1604:72: 1604 | * lci,lckl,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1615:72: 1615 | * lcj,lckl,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1626:72: 1626 | * lcij,lckl,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:680:72: 680 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:680:72: 680 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:698:72: 698 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:698:72: 698 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:715:72: 715 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:715:72: 715 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:733:72: 733 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:733:72: 733 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:748:72: 748 | * bl(idx1),bl(indx),ij3b,kl3b) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:748:72: 748 | * bl(idx1),bl(indx),ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:761:72: 761 | * bl(idx2),bl(indx), ij3b,kl3b) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:761:72: 761 | * bl(idx2),bl(indx), ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:773:72: 773 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:773:72: 773 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:773:72: 773 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:785:72: 785 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:785:72: 785 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:785:72: 785 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:797:72: 797 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:797:72: 797 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:797:72: 797 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:809:72: 809 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:809:72: 809 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:809:72: 809 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:824:72: 824 | * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:824:72: 824 | * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:824:72: 824 | * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:835:72: 835 | * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:835:72: 835 | * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:835:72: 835 | * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:846:72: 846 | * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:846:72: 846 | * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:846:72: 846 | * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:857:72: 857 | * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:857:72: 857 | * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:857:72: 857 | * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:868:72: 868 | * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:868:72: 868 | * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:868:72: 868 | * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:55:72: 55 | * bl(ibuf2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:64:72: 64 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:69:72: 69 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:76:72: 76 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:81:72: 81 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:91:72: 91 | * bl(iaax),bl(ibbx),bl(iccx),bl(iexpo)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:96:72: 96 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) Compiling spec_block.F... spec_block.F:84:72: 84 | * bl(nblock1),nbl1,nbl2,nbl4) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:94:72: 94 | call make_nblock1_back(ncs,nbl1,bl(nblock1),bl(nblock1_back)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:94:72: 94 | call make_nblock1_back(ncs,nbl1,bl(nblock1),bl(nblock1_back)) | 1 Warning: Type mismatch in argument 'nblock1_back' at (1); passed REAL(8) to INTEGER(8) spec_block.F:114:72: 114 | call blk_pairs(nbl1,nbl2,bl(nblock1),bl(npard)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:114:72: 114 | call blk_pairs(nbl1,nbl2,bl(nblock1),bl(npard)) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'mxsize' at (1); passed REAL(8) to INTEGER(8) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'mxpair' at (1); passed REAL(8) to INTEGER(8) spec_block.F:41:72: 41 | call block_info(inx,bl(nblock1),bl(npard),nbl2) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:41:72: 41 | call block_info(inx,bl(nblock1),bl(npard),nbl2) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nqrt' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nibl' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nkbl' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nijb' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nije' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nklb' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nkle' at (1); passed REAL(8) to INTEGER(8) Compiling cshneg.f... Compiling d_datlog.F... Compiling spec_calcint.F... spec_calcint.F:102:72: 102 | call doblock2(ibl,bl(ijblock),idoit) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:106:72: 106 | call doblock2(kbl,bl(klblock),jdoit) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:111:72: 111 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:111:72: 111 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:114:72: 114 | * isbdo,bl(isbl_split) ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:114:72: 114 | * isbdo,bl(isbl_split) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:114:72: 114 | * isbdo,bl(isbl_split) ) | 1 Warning: Type mismatch in argument 'isbl_split' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:126:72: 126 | call get_nparts(isupb,bl(isbl_part),nparts) | 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:134:72: 134 | * bl(isbl_copy) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:134:72: 134 | * bl(isbl_copy) ) | 1 Warning: Type mismatch in argument 'isbl_copy' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:136:72: 136 | * bl(isbl_copy),maxsize) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:136:72: 136 | * bl(isbl_copy),maxsize) | 1 Warning: Type mismatch in argument 'isbl_copy' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:158:72: 158 | * bl(ijpres2),bl(klpres2) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:158:72: 158 | * bl(ijpres2),bl(klpres2) ) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:158:72: 158 | * bl(ijpres2),bl(klpres2) ) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_split' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_copy' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nibl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nkbl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nijb' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nije' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nklb' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nkle' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nblok1' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nqrt' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:379:72: 379 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:379:72: 379 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'ijklpres' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:406:72: 406 | * bl(isymm),nblspec) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:406:72: 406 | * bl(isymm),nblspec) | 1 Warning: Type mismatch in argument 'ijklpres' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'map_ij' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'map_kl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'indxij' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'indxkl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'ipres' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'indxp' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1404:72: 1404 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1404:72: 1404 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1455:72: 1455 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1455:72: 1455 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1459:72: 1459 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1459:72: 1459 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:893:72: 893 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:893:72: 893 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:897:72: 897 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:897:72: 897 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1793:72: 1793 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1793:72: 1793 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1815:72: 1815 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1815:72: 1815 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1819:72: 1819 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1819:72: 1819 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1237:72: 1237 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1237:72: 1237 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1241:72: 1241 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1241:72: 1241 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'map_ij' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'map_kl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:41:72: 41 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:41:72: 41 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:41:72: 41 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'mxsize' at (1); passed REAL(8) to INTEGER(8) Compiling spec_destiny.F... Compiling memoha.F... Compiling precalc2.F... precalc2.F:34:72: 34 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:42:72: 42 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:75:72: 75 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:83:72: 83 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:312:72: 312 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:317:72: 317 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:336:72: 336 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:341:72: 341 | * nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:351:72: 351 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:351:72: 351 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:357:72: 357 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:357:72: 357 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1346:72: 1346 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1370:72: 1370 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1390:72: 1390 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1390:72: 1390 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(8) Compiling prepint.F... Compiling lab_reorder.F... precalc2.F:1623:72: 1623 | fctpp= abs( est_ip*est_jp ) | ^ Warning: 'est_ip' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1524:24: 1524 | est_ip=1.0d0 | ^ note: 'est_ip' was declared here precalc2.F:1616:72: 1616 | fctp= abs( est_is*est_jp ) | ^ Warning: 'est_is' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1523:24: 1523 | est_is=csi | ^ note: 'est_is' was declared here precalc2.F:1616:72: 1616 | fctp= abs( est_is*est_jp ) | ^ Warning: 'est_jp' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1549:24: 1549 | est_jp=1.0d0 | ^ note: 'est_jp' was declared here precalc2.F:1628:72: 1628 | factab=factab*contrij | ^ Warning: 'factab' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1606:25: 1606 | factab=abs( est_is*est_js ) | ^ note: 'factab' was declared here Compiling rt123.F... Compiling shells.F... precalc2.F:579:72: 579 | fctpp= abs( est_ip*est_jp ) | ^ Warning: 'est_ip' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:488:24: 488 | est_ip=1.d0 | ^ note: 'est_ip' was declared here precalc2.F:572:72: 572 | fctp= abs( est_is*est_jp ) | ^ Warning: 'est_jp' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:517:24: 517 | est_jp=1.d0 | ^ note: 'est_jp' was declared here precalc2.F:584:72: 584 | factab=factab*contrij | ^ Warning: 'factab' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:562:25: 562 | factab=abs( est_is*est_js ) | ^ note: 'factab' was declared here Compiling time.f... Compiling zeroint.F... zeroint.F:41:72: 41 | call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) zeroint.F:41:72: 41 | call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:41:72: 41 | call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) | 1 Warning: Type mismatch in argument 'idpres' at (1); passed REAL(8) to INTEGER(8) zeroint.F:45:72: 45 | call zerosp(lnijkl,nbls,bl(ibuf),bl(idxnot),nbls2,ngcd) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:57:72: 57 | * bl(ibut2),l01,l02,nfu(nqij)+1,nfu(nqkl)+1 ) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:70:72: 70 | * bl(ibut2 ),lqij,l02,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:86:72: 86 | * bl(ibut2 ),lqij,l02,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:101:72: 101 | * bl(ibut2 ),l01,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:116:72: 116 | * bl(ibut2 ),l01,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:132:72: 132 | * bl(ibut2 ),lij3,l02,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:146:72: 146 | * bl(ibut2 ),l01,lkl3,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:160:72: 160 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:174:72: 174 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:188:72: 188 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:202:72: 202 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:218:72: 218 | * bl(ibut2 ),lqmx,l3l,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:230:72: 230 | * bl(ibut2 ),lqmx,l3l,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:242:72: 242 | * bl(ibut2 ),l3l,lqmx,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:254:72: 254 | * bl(ibut2 ),l3l,lqmx,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:269:72: 269 | * bl(ibut2 ),lsss,lsss,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) Compiling missing.f... Compiling texas_stubs.F... texas_stubs.F:7:0: 7 | #define USE_TEXAS | Warning: "USE_TEXAS" redefined :11:0: note: this is the location of the previous definition Compiling uniq_pairs.F... uniq_pairs.F:73:72: 73 | call do_tmp1(isbl_size,isbl_q,ijpres2,bl(ij_temp),iqu ) | 1 Warning: Type mismatch in argument 'ij_temp' at (1); passed REAL(8) to INTEGER(8) uniq_pairs.F:74:72: 74 | call do_uniq(iqu,bl(ij_temp), ibl_uniqe ,ij_u) | 1 Warning: Type mismatch in argument 'itmp' at (1); passed REAL(8) to INTEGER(8) uniq_pairs.F:40:72: 40 | * bl(ij_uniqe) , nij_uniqe ) | 1 Warning: Type mismatch in argument 'ibl_uniqe' at (1); passed REAL(8) to INTEGER(8) uniq_pairs.F:42:72: 42 | * bl(kl_uniqe) , nkl_uniqe ) | 1 Warning: Type mismatch in argument 'ibl_uniqe' at (1); passed REAL(8) to INTEGER(8) Compiling transfor.F... Compiling gencon.f... gencon.f:352:72: 352 | * bl(indx),nbls1, ngcd,bl(igcoet) ) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) gencon.f:366:72: 366 | * bl(igc_ax),bl(igc_bx),bl(igc_cx) ) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) gencon.f:370:72: 370 | * bl(igc_ax),bl(igc_bx),bl(igc_cx) ) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) Compiling derivat.F... Compiling convert.f... Compiling test_calc2.f... Compiling screened_op.F... Compiling trobsa.F... trobsa.F:292:72: 292 | call find_unstable(stable,nbls1, bl(iq_u),nbls1_u) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:329:72: 329 | call copy_unstable_1(nbls1,bl(iq_u),nbls1_u,bl(irys),bl(iconst)) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:364:72: 364 | * bl(irhocpd_u),bl(icdnix_u),bl(ixqnx_u),bl(ixwq_u)) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:372:72: 372 | * bl(ip1234),bl(iabcd),bl(ihabcdx) ) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:382:72: 382 | * bl(iwt0),bl(iwt0_u),lnij,lnkl) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'iq_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:291:31: 291 | call memo1_int(nbls1,iq_u) | ^ note: 'iq_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'irhoapb_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:316:37: 316 | call getmem(nbls1_u, irhoapb_u ) ! rhoapb & rhocpd | ^ note: 'irhoapb_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'iabnix_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:317:45: 317 | call getmem(nbls1_u*(mmax_1), iabnix_u ) ! abnix & cdnix | ^ note: 'iabnix_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'ixpnx_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:318:37: 318 | call getmem(nbls1_u*3, ixpnx_u ) ! xpnx & xqnx | ^ note: 'ixpnx_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'ixwp_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:319:36: 319 | call getmem(nbls1_u*3, ixwp_u ) ! xwp & xwq | ^ note: 'ixwp_u' declared here trobsa.F:353:72: 353 | * nsij,nskl,1) | ^ Warning: 'iwt0_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:315:44: 315 | call getmem(nbls1_u*lnij*lnkl, iwt0_u) | ^ note: 'iwt0_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'iq_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:291:31: 291 | call memo1_int(nbls1,iq_u) | ^ note: 'iq_u' declared here trobsa.F:353:72: 353 | * nsij,nskl,1) | ^ Warning: 'iwt0_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:315:44: 315 | call getmem(nbls1_u*lnij*lnkl, iwt0_u) | ^ note: 'iwt0_u' declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/texas' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/texas' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a abcd.o texas_face.o texas_hf.o big_service.o getmem.o amshift.o assemblx.o spec_block.o cshneg.o d_datlog.o spec_calcint.o spec_destiny.o memoha.o precalc2.o prepint.o lab_reorder.o rt123.o shells.o time.o zeroint.o missing.o texas_stubs.o uniq_pairs.o transfor.o gencon.o derivat.o convert.o test_calc2.o screened_op.o trobsa.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/texas' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/texas' Making all in ecp make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/ecp' Compiling ecp_sph_tens.f... Compiling int_ecp.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/ecp' int_ecp.F:216:10: 216 | if (n_zeta_c_e.ne.n_zeta_c_c) then | ^ Warning: 'n_zeta_c_c' may be used uninitialized [-Wmaybe-uninitialized] int_ecp.F:43:24: 43 | integer n_zeta_c_c ! length of ecp coefficient array | ^ note: 'n_zeta_c_c' was declared here int_ecp.F:216:10: 216 | if (n_zeta_c_e.ne.n_zeta_c_c) then | ^ Warning: 'n_zeta_c_e' may be used uninitialized [-Wmaybe-uninitialized] int_ecp.F:42:24: 42 | integer n_zeta_c_e ! length of ecp exponent array | ^ note: 'n_zeta_c_e' was declared here Compiling ecp_3j_prod.f... Compiling ecp_angint.f... Compiling ecp_angrad.f... Compiling ecp_bess_asy.F... Compiling ecp_bess_pow.f... Compiling ecp_bessel.f... Compiling ecp_c2slower.f... Compiling ecp_c2snorm.F... ecp_c2snorm.F:42:72: 42 | wa = wa/sqrt(wb*wc) | ^ Warning: 'wa' may be used uninitialized [-Wmaybe-uninitialized] ecp_c2snorm.F:20:25: 20 | double precision wa,wb,wc,zero,half | ^ note: 'wa' was declared here Compiling ecp_c2srecur.f... Compiling ecp_cart_xpd.F... ecp_cart_xpd.F:117:32: 102 | call ycopy(m-a+1,zero,0,tmp(ind_n,ind_m+1),n_n) | 2 ...... 117 | call ycopy (n_n*ind_m,tmp,1,coef(1,ind_s),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling ecp_contract.f... Compiling ecp_cstrans.F... Compiling ecp_down_m.f... Compiling ecp_gaussq.f... Compiling ecp_init_c2s.F... Compiling ecp_init_con.F... Compiling ecp_int0.F... Compiling ecp_int1.F... Compiling ecp_int2.F... Compiling ecp_integral.F... Compiling ecp_matpi.F... Compiling ecp_matpr.F... Compiling ecp_radint0.F... Compiling ecp_radint1.F... Compiling ecp_radint2.F... Compiling ecp_s2ccoef.f... Compiling ecp_s2cnorm.F... Compiling ecp_so_ang.F... Compiling ecp_t1_Q0asy.F... Compiling ecp_t1_Q0int.F... Compiling ecp_t1_Q0pow.F... Compiling ecp_t1_Q1asy.F... Compiling ecp_t1_Q1int.F... Compiling ecp_t1_Q1pow.F... Compiling ecp_t1_Q2int.F... Compiling ecp_t2_ghq.F... Compiling ecp_t2_init0.f... Compiling ecp_t2_init1.f... Compiling ecp_t2_init2.F... Compiling ecp_t2_p0pow.F... Compiling ecp_t2_p1pow.F... Compiling ecp_up_k.f... Compiling ecp_local0.F... Compiling ecp_local1.F... Compiling ecp_local2.F... Compiling ecp_locint1.F... ecp_locint1.F:56:42: 56 | & coeff_c(n_c),tol,wa,wb,wc,prefac | ^ Warning: 'prefac' may be used uninitialized [-Wmaybe-uninitialized] Compiling ecp_skipint.F... Compiling ecp_t1_Q3asy.F... Compiling ecp_t1_Q3int.F... Compiling ecp_t1_Q3pow.F... Compiling ecp_t1_Q4int.F... Compiling ecp_t2_init3.f... Compiling ecp_t2_init4.f... Compiling ecp_t2_p3pow.F... Compiling ecp_t2_p4pow.F... Compiling ecp_ind_var.f... Compiling ecp_gradient.F... Compiling ecp_grad_a.F... Compiling ecp_grad_b.F... Compiling ecp_hessian.F... Compiling ecp_int2_k.F... Compiling ecp_local2_k.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/ecp' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/ecp' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a ecp_sph_tens.o int_ecp.o ecp_3j_prod.o ecp_angint.o ecp_angrad.o ecp_bess_asy.o ecp_bess_pow.o ecp_bessel.o ecp_c2slower.o ecp_c2snorm.o ecp_c2srecur.o ecp_cart_xpd.o ecp_contract.o ecp_cstrans.o ecp_down_m.o ecp_gaussq.o ecp_init_c2s.o ecp_init_con.o ecp_int0.o ecp_int1.o ecp_int2.o ecp_integral.o ecp_matpi.o ecp_matpr.o ecp_radint0.o ecp_radint1.o ecp_radint2.o ecp_s2ccoef.o ecp_s2cnorm.o ecp_so_ang.o ecp_t1_Q0asy.o ecp_t1_Q0int.o ecp_t1_Q0pow.o ecp_t1_Q1asy.o ecp_t1_Q1int.o ecp_t1_Q1pow.o ecp_t1_Q2int.o ecp_t2_ghq.o ecp_t2_init0.o ecp_t2_init1.o ecp_t2_init2.o ecp_t2_p0pow.o ecp_t2_p1pow.o ecp_up_k.o ecp_local0.o ecp_local1.o ecp_local2.o ecp_locint1.o ecp_skipint.o ecp_t1_Q3asy.o ecp_t1_Q3int.o ecp_t1_Q3pow.o ecp_t1_Q4int.o ecp_t2_init3.o ecp_t2_init4.o ecp_t2_p3pow.o ecp_t2_p4pow.o ecp_ind_var.o ecp_gradient.o ecp_grad_a.o ecp_grad_b.o ecp_hessian.o ecp_int2_k.o ecp_local2_k.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/ecp' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/ecp' Making all in hondo make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/hondo' Compiling hnd_vstat.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/hondo' Compiling hnd_whermt.F... Compiling hnd_rt123.F... Compiling hnd_root4.F... Compiling hnd_root5.F... Compiling hnd_droot.F... Compiling hnd_1emem.F... Compiling hnd_init.F... Compiling hnd_set_acc.F... Compiling hnd_stvint.F... Compiling hnd_sxyz.F... hnd_sxyz.F:18:40: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'ax' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:44: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'ay' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:48: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'az' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:52: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'bx' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:56: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'by' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:60: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'bz' may be used uninitialized [-Wmaybe-uninitialized] Compiling hnd_txyz.F... Compiling hnd_initd.F... Compiling hnd_d1emem.F... Compiling hnd_stvintd.F... Compiling hnd_dderij.F... Compiling hnd_sd_ij.F... Compiling hnd_tvd_ij.F... Compiling hnd_ddtxyz.F... Compiling hnd_hlf_ij.F... Compiling hnd_dervxyz.F... Compiling hnd_initdd.F... Compiling hnd_dd1emem.F... Compiling hnd_stvintdd.F... Compiling hnd_hlfd_ij.F... Compiling hnd_deriaj.F... Compiling hnd_terminate.F... Compiling hnd_denxyz.F... Compiling hnd_elfder.F... Compiling hnd_giaoh01.F... Compiling hnd_giaoh11.F... Compiling hnd_giaol10.F... Compiling hnd_giaos10.F... Compiling hnd_giaotv10.F... Compiling hnd_giaobq10.F... Compiling hnd_giao_init.F... Compiling hnd_giao_1emem.F... Compiling hnd_giao_2emem.F... Compiling hnd_giagnm.F... hnd_giagnm.F:56:13: 54 | do 70 m=2,max | 2 55 | do 70 ig=1,ng 56 | 70 b00(ig,m)=b00(ig,m-1)+b00(ig,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:64:13: 62 | do 80 n=2,nmax-1 | 2 63 | do 80 ig=1,ng 64 | b10(ig,n)=b10(ig,n-1)+b10(ig,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:81:29: 79 | do 100 n=2,nmax-1 | 2 80 | do 100 ig=1,ng 81 | gnm(ig,1,n+1,2)=b00(ig,n)*gnm(ig,1,n,1)+d00(ig,1)*gnm(ig,1,n+1,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:82:29: 79 | do 100 n=2,nmax-1 | 2 ...... 82 | gnm(ig,2,n+1,2)=b00(ig,n)*gnm(ig,2,n,1)+d00(ig,2)*gnm(ig,2,n+1,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:83:29: 79 | do 100 n=2,nmax-1 | 2 ...... 83 | gnm(ig,3,n+1,2)=b00(ig,n)*gnm(ig,3,n,1)+d00(ig,3)*gnm(ig,3,n+1,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:95:13: 93 | do 130 m=2,mmax-1 | 2 94 | do 130 ig=1,ng 95 | b01(ig,m)=b01(ig,m-1)+b01(ig,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:112:29: 110 | do 150 m=2,mmax-1 | 2 111 | do 150 ig=1,ng 112 | gnm(ig,1,2,m+1)=b00(ig,m)*gnm(ig,1,1,m)+c00(ig,1)*gnm(ig,1,1,m+1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:113:29: 110 | do 150 m=2,mmax-1 | 2 ...... 113 | gnm(ig,2,2,m+1)=b00(ig,m)*gnm(ig,2,1,m)+c00(ig,2)*gnm(ig,2,1,m+1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:114:29: 110 | do 150 m=2,mmax-1 | 2 ...... 114 | gnm(ig,3,2,m+1)=b00(ig,m)*gnm(ig,3,1,m)+c00(ig,3)*gnm(ig,3,1,m+1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:129:31: 124 | do 180 m=2,mmax-1 | 2 ...... 129 | 2 b00(ig,m )*gnm(ig,1,n ,m ) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:132:31: 124 | do 180 m=2,mmax-1 | 2 ...... 132 | 2 b00(ig,m )*gnm(ig,2,n ,m ) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:135:31: 124 | do 180 m=2,mmax-1 | 2 ...... 135 | 2 b00(ig,m )*gnm(ig,3,n ,m ) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling hnd_giaspd.F... Compiling hnd_jkbcdf.F... Compiling hnd_oechrg.F... Compiling hnd_xyzgia.F... Compiling hnd_giahnd.F... Compiling hnd_giaxyz.F... Compiling hnd_jkwrys.F... Compiling hnd_spdgia.F... Compiling hnd_pso.F... Compiling hnd_ops.F... Compiling hnd_dso.F... Compiling hnd_wleg.F... Compiling hnd_herxyz.F... Compiling hnd_init_1eelec.F... Compiling hnd_init_dso.F... Compiling hnd_init_1emtpl.F... Compiling hnd_init_pso.F... Compiling hnd_init_ops.F... Compiling hnd_veloc.F... Compiling hnd_angmom.F... Compiling hnd_dipxyz.F... Compiling hnd_init_dip.F... Compiling hnd_giaos100.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/hondo' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/hondo' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a hnd_vstat.o hnd_whermt.o hnd_rt123.o hnd_root4.o hnd_root5.o hnd_droot.o hnd_1emem.o hnd_init.o hnd_set_acc.o hnd_stvint.o hnd_sxyz.o hnd_txyz.o hnd_initd.o hnd_d1emem.o hnd_stvintd.o hnd_dderij.o hnd_sd_ij.o hnd_tvd_ij.o hnd_ddtxyz.o hnd_hlf_ij.o hnd_dervxyz.o hnd_initdd.o hnd_dd1emem.o hnd_stvintdd.o hnd_hlfd_ij.o hnd_deriaj.o hnd_terminate.o hnd_denxyz.o hnd_elfder.o hnd_giaoh01.o hnd_giaoh11.o hnd_giaol10.o hnd_giaos10.o hnd_giaotv10.o hnd_giaobq10.o hnd_giao_init.o hnd_giao_1emem.o hnd_giao_2emem.o hnd_giagnm.o hnd_giaspd.o hnd_jkbcdf.o hnd_oechrg.o hnd_xyzgia.o hnd_giahnd.o hnd_giaxyz.o hnd_jkwrys.o hnd_spdgia.o hnd_pso.o hnd_ops.o hnd_dso.o hnd_wleg.o hnd_herxyz.o hnd_init_1eelec.o hnd_init_dso.o hnd_init_1emtpl.o hnd_init_pso.o hnd_init_ops.o hnd_veloc.o hnd_angmom.o hnd_dipxyz.o hnd_init_dip.o hnd_giaos100.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/hondo' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/hondo' Making all in rel make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/rel' Compiling int_rel_init.F... Compiling rel_input.F... rel_input.F:80:64: 48 | if (.not. rtdb_put(rtdb, 'doug_kroll', mt_log, 1, dk_run)) | 2 ...... 80 | if(.not.rtdb_put(rtdb,'relativistic:clight',mt_dbl,1,clight)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling modelpotential_input.F... Compiling set_modelpotential_params.F... Compiling get_modelpotential_params.F... Compiling calc_modelpotential.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/rel' Compiling rel_onel.F... rel_onel.F:9:19: 9 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space rel_onel.F:14:19: 14 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space Compiling rel_mpole.F... Compiling rel_pvp.F... Compiling rel_pot.F... Compiling rel_pot2.F... Compiling rel_2e4c_sf.F... Compiling rel_LLSS.F... Compiling rel_SSLL.F... Compiling rel_SSSS.F... Compiling rel_init_con.F... Compiling dmd_input.F... Compiling zora_input.F... Compiling x2c_input.F... Compiling rel_oneld.F... rel_oneld.F:9:19: 9 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space rel_oneld.F:14:19: 14 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space Compiling rel_oneld_cosmo.F... rel_oneld_cosmo.F:9:19: 9 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space rel_oneld_cosmo.F:14:19: 14 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space Compiling rel_2e4cd_sf.F... rel_oneld_cosmo.F:115:17: 115 | logical doV ! compute potential (True/False) | ^ Warning: 'dov' may be used uninitialized [-Wmaybe-uninitialized] Compiling rel_LLSSd.F... Compiling rel_SSLLd.F... Compiling rel_SSSSd.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/rel' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/rel' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a int_rel_init.o rel_input.o modelpotential_input.o set_modelpotential_params.o get_modelpotential_params.o calc_modelpotential.o rel_onel.o rel_mpole.o rel_pvp.o rel_pot.o rel_pot2.o rel_2e4c_sf.o rel_LLSS.o rel_SSLL.o rel_SSSS.o rel_init_con.o dmd_input.o zora_input.o x2c_input.o rel_oneld.o rel_oneld_cosmo.o rel_2e4cd_sf.o rel_LLSSd.o rel_SSLLd.o rel_SSSSd.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/rel' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/rel' Making all in dk make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/dk' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/dk' Compiling int_1edk_ga.F... int_1edk_ga.F:194:13: 194 | info = ga_cholesky('L',tempg_a,-1) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling dk_input.F... dk_input.F:110:61: 108 | if (.not. rtdb_put(rtdb, 'doug_kroll', mt_log, 1, dk_run)) | 2 109 | $ call errquit('dk_input: rtdb_put failed', 0, RTDB_ERR) 110 | if (.not. rtdb_put(rtdb, 'doug_kroll:type', mt_int, 1, dk_type)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dkdiv_energy.F... Compiling int_pxvp_ga.F... Compiling int_1edkso_ga.F... int_1edkso_ga.F:182:13: 182 | info = ga_cholesky('L',tempg_a,-1) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling bas_create_uncont.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/dk' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/dk' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a int_1edk_ga.o dk_input.o dkdiv_energy.o int_pxvp_ga.o int_1edkso_ga.o bas_create_uncont.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/dk' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/dk' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a intgrl_input.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwints.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints' Making libraries in atomscf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/atomscf' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/atomscf' Compiling orderd.F... Compiling atcond.F... Compiling denat.F... denat.F:132:56: 121 | if (.not. rtdb_get(rtdb, 'atomscf:special', mt_log, 1, spec)) | 2 ...... 132 | if (.not.rtdb_get(rtdb,'atomscf:z',mt_dbl,num_z,z)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling hamild.F... Compiling outpud.F... Compiling teigd.F... Compiling atomd.F... Compiling denmad.F... Compiling jacod.F... jacod.F:141:72: 141 | f(iebr) = tt*sx - f(iebr)*cx | ^ Warning: 'tt' may be used uninitialized [-Wmaybe-uninitialized] jacod.F:20:49: 20 | real *8 sd, t, dif, t2x2, t2x25, cx, sx, tt | ^ note: 'tt' was declared here Compiling pdfded.F... Compiling tracd.F... Compiling cmergd.F... Compiling densid.F... Compiling densid_z.F... Compiling oeigd.F... Compiling shalfd.F... Compiling trafsd.F... Compiling creded.F... Compiling square.F... Compiling tramad.F... Compiling datoms.F... Compiling guess_mem.F... Compiling starcd.F... Compiling writel.F... Compiling printbasis.F... Compiling atscf_ecp.F... Compiling atscf_atscf.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/atomscf' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/atomscf' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libguess.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libguess.a orderd.o atcond.o denat.o hamild.o outpud.o teigd.o atomd.o denmad.o jacod.o pdfded.o tracd.o cmergd.o densid.o densid_z.o oeigd.o shalfd.o trafsd.o creded.o square.o tramad.o datoms.o guess_mem.o starcd.o writel.o printbasis.o atscf_ecp.o atscf_atscf.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libguess.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libguess.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libguess.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/atomscf' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/atomscf' Making libraries in ddscf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ddscf' Compiling comp4_bins.F... Compiling rhf_dens_mo.F... Compiling comp4_insert.F... Compiling scf_sym_adap.F... Compiling rhf_fock_2e.F... Compiling scf_lindep.F... scf_lindep.F:69:51: 59 | if (rtdb_get(rtdb, 'lindep:n_dep', mt_int, 1, n_dep)) then | 2 ...... 69 | if (rtdb_get(rtdb, 'lindep:tol', mt_dbl, 1, tol)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ga_atom_blk.F... Compiling scf.F... scf.F:193:9: 191 | & cam_exch)) cam_exch=.false. | 2 192 | if (.not.rtdb_get(rtdb, 'scf:cam_omega', mt_dbl, 1, 193 | & cam_omega)) cam_omega=0.d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). scf.F:307:56: 76 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 1)) | 2 ...... 307 | if (.not. rtdb_put(rtdb, 'scf:energy', MT_DBL, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling scf_input.F... scf_input.F:52:60: 43 | if (.not. rtdb_put(rtdb, 'scf:thresh', mt_dbl, 1, conv)) | 2 ...... 52 | if (.not. rtdb_put(rtdb, 'scf:maxiter', mt_int, 1, maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). scf_input.F:79:64: 43 | if (.not. rtdb_put(rtdb, 'scf:thresh', mt_dbl, 1, conv)) | 2 ...... 79 | if (.not.rtdb_put(rtdb,'scf:level shift info',MT_DBL,6,shifts)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling schwarz_init.F... Compiling vectors_inp.F... vectors_inp.F:234:51: 126 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 234 | if (.not. rtdb_put(rtdb, test, mt_int, 1, nfrag)) call errquit | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) vectors_inp.F:248:51: 126 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 248 | if (.not. rtdb_put(rtdb, test, MT_LOG, 1, olock)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling int_1e_ga.F... Compiling schwarz_pr.F... int_1e_ga.F:706:72: 706 | ocache=ocache_save | ^ Warning: 'ocache_save' may be used uninitialized [-Wmaybe-uninitialized] int_1e_ga.F:625:25: 625 | logical ocache_save | ^ note: 'ocache_save' was declared here int_1e_ga.F:423:72: 423 | ocache=ocache_save | ^ Warning: 'ocache_save' may be used uninitialized [-Wmaybe-uninitialized] int_1e_ga.F:208:25: 208 | logical ocache_save | ^ note: 'ocache_save' was declared here Compiling ga_orth_mos.F... Compiling schwarz_tidy.F... Compiling int2e_balance.F... Compiling vectors.F... Compiling scf_sym_scr.F... vectors.F:1308:40: 1302 | ierr = eaf_read(unitno, offset, len1,lgth) | 2 ...... 1308 | ierr = eaf_read(unitno, offset, gtitle(1:len1),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(*)/INTEGER(8)). vectors.F:1162:41: 1156 | ierr = eaf_write(unitno, offset, len1,lgth) | 2 ...... 1162 | ierr = eaf_write(unitno, offset, gtitle(1:len1),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(*)/INTEGER(8)). vectors.F:195:43: 195 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, ddblsize*nbf, 0) | 1 ...... 1358 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) ! Propagate status | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). vectors.F:77:41: 77 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nmo, inntsize*nsets, 0) | 1 ...... 1358 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) ! Propagate status | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vectors.F:851:22: 575 | call ga_inquire(g_vecs, type, dim1, dim2) | 2 ...... 851 | call ga_inquire(g_a, type, nrow, ncol) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) vectors.F:868:22: 575 | call ga_inquire(g_vecs, type, dim1, dim2) | 2 ...... 868 | call ga_inquire(g_a, type, nrow, ncol) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) vectors.F:952:50: 402 | if (.not. rtdb_get(rtdb, key, mt_dbl, 1, energy)) then | 2 ...... 952 | if (.not. rtdb_get(rtdb, key, mt_log, 1, oconverged)) goto 10 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling ga_cont_blk.F... Compiling mull_pop.F... mull_pop.F:162:44: 152 | call ga_put(g_nbf,iat,iat,1,1,nbf_at,1) | 2 ...... 162 | call ga_put(g_pop,mu,mu,iat,iat,psmu,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). mull_pop.F:177:40: 175 | call ga_get (g_nbf,iat,iat,1,1,nbf_at,1) | 2 176 | do i = 1,nbf_at 177 | call ga_get(g_pop,i,i,iat,iat,pop,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). vectors.F:997:72: 997 | end | ^ Warning: '__result_movecs_converged' may be used uninitialized [-Wmaybe-uninitialized] vectors.F:873:39: 873 | logical function movecs_converged(rtdb, basis, scftype, filename) | ^ note: '__result_movecs_converged' was declared here Compiling matrix_exp.F... Compiling scf_pstat.F... Compiling schwarz_max.F... Compiling movecs_proj.F... movecs_proj.F:181:32: 172 | call int_init(rtdb,2,basis_handles) | 2 ...... 181 | call int_init(rtdb, 1, basis) ! WRONG WRONG WRONG | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling movecs_rotate.F... Compiling movecs_molden.F... Compiling ao_fock_2e.F... Compiling movecs_lock.F... movecs_lock.F:77:26: 62 | call ycopy(nmo, evals, 1, dbl_mb(k_e), 1) | 2 ...... 77 | call ycopy(nmo, 0.0d0,0, dbl_mb(k_t), 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling fock_2e.F... fock_2e.F:111:49: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 111 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:111:55: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 111 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:127:51: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 127 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:127:57: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 127 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:131:50: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 131 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:131:56: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 131 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling fock_2e_et.F... Compiling fock_2e_a.F... Compiling print_aoints.F... Compiling fock_2e_b.F... Compiling fock_upd_blk.F... Compiling fock_2e_cdf.F... Compiling fock_get_blk.F... Compiling scf_vec_guess.F... scf_vec_guess.F:113:53: 92 | if(.not.rtdb_get(rtdb,'tolguess',mt_dbl,1,tolguess)) then | 2 ...... 113 | if (.not. rtdb_get(rtdb, 'dft:fon', mt_log, 1, fon)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). scf_vec_guess.F:134:25: 124 | & 32, 32, g_tmp)) call errquit('scf_v_g: tmp MOs', 0, | 2 ...... 134 | & 32, 32, g_movecs)) call errquit('scf_v_g: alpha MOs',0, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:141:24: 124 | & 32, 32, g_tmp)) call errquit('scf_v_g: tmp MOs', 0, | 2 ...... 141 | & 32,32, g_movecs)) call errquit('scf_v_g: MOs', 0, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:145:30: 128 | if (.not. ga_destroy(g_movecs)) | 2 ...... 145 | if (.not. ga_destroy(g_tmp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:164:14: 159 | if (.not. rtdb_put(rtdb,'scf:tol2e',mt_dbl,1,tol2e)) | 2 ...... 164 | $ odensityscreen)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). scf_vec_guess.F:295:31: 144 | call ga_copy(g_tmp, g_movecs) | 2 ...... 295 | call ga_copy(g_movecs, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:295:41: 144 | call ga_copy(g_tmp, g_movecs) | 2 ...... 295 | call ga_copy(g_movecs, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:332:30: 330 | & g_tmp, g_movecs, 0.0d0, g_tmp2) | 2 331 | call ga_dgemm('n', 'n', nbf, nmo, nmo, 1.0d0, 332 | & g_tmp, g_tmp2, 0.0d0, g_movecs) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:332:45: 330 | & g_tmp, g_movecs, 0.0d0, g_tmp2) | 2 331 | call ga_dgemm('n', 'n', nbf, nmo, nmo, 1.0d0, 332 | & g_tmp, g_tmp2, 0.0d0, g_movecs) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:337:33: 330 | & g_tmp, g_movecs, 0.0d0, g_tmp2) | 2 ...... 337 | & g_tmp, g_tmp2, 0.0d0, g_movecs(2)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:339:39: 128 | if (.not. ga_destroy(g_movecs)) | 2 ...... 339 | if (.not. ga_destroy(g_tmp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:341:39: 128 | if (.not. ga_destroy(g_movecs)) | 2 ...... 341 | if (.not. ga_destroy(g_tmp2)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf.F... rohf.F:135:14: 135 | $ int_mb(k_irs), nmo) | 1 ...... 311 | call ecce_print1('total dipole', mt_dbl, totalmoments(2), 3) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling rohf_nr_sol.F... Compiling rohf_wrap.F... rohf_wrap.F:209:58: 191 | if (.not. rtdb_get(rtdb,'cosmo:energy',mt_dbl,1,ecosmo)) | 2 ...... 209 | if (.not. rtdb_get(rtdb, 'dimqm:ldimqm', MT_LOG, 1, ldimqm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling rohf_canon.F... rohf_canon.F:90:17: 79 | $ zero, g_movecs) | 2 ...... 90 | $ zero, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:92:17: 79 | $ zero, g_movecs) | 2 ...... 92 | $ zero, crohf_g_fcv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:96:20: 79 | $ zero, g_movecs) | 2 ...... 96 | $ zero, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:98:20: 79 | $ zero, g_movecs) | 2 ...... 98 | $ zero, crohf_g_fcp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:100:20: 79 | $ zero, g_movecs) | 2 ...... 100 | $ zero, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:102:20: 79 | $ zero, g_movecs) | 2 ...... 102 | $ zero, crohf_g_fpv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf_k2cf.F... Compiling rohf_precon.F... Compiling rohf_shift.F... Compiling rohf_step.F... Compiling rohf_rotate.F... Compiling scf_get_info.F... scf_get_info.F:363:58: 363 | if (.not. rtdb_get(rtdb, 'fock:task_bf', MT_INT, 1, task_bf)) | 1 ...... 550 | $ MT_LOG, 1, okeep)) okeep = .false. | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling rohf_hscale.F... Compiling fock_2e_file.F... Compiling rohf_hxx.F... Compiling rohf_fock.F... rohf_fock.F:255:25: 121 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 255 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_fock.F:255:46: 121 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 255 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_fock.F:269:25: 121 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 269 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_fock.F:269:46: 121 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 269 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rohf_fock2g.F... Compiling scf_movecs.F... scf_movecs.F:94:40: 16 | $ g_movecs)) | 2 ...... 94 | $ dbl_mb(k_o), dbl_mb(k_e), g_old)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf_h1e.F... Compiling rohf_h2e.F... Compiling rohf_hessv2.F... rohf_hessv2.F:293:14: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 293 | $ g_movec, 1, nbf, voff, nmo, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:294:14: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 294 | $ g_tmp2, 1, nvir, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:314:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 314 | $ g_movec, 1, nbf, voff, nmo, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:315:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 315 | $ g_tmp2, 1, nvir, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:332:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 332 | $ g_movec, 1, nbf, ooff, oend, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:333:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 333 | $ g_tmp2, 1, nopen, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:487:14: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 487 | $ g_movec, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:488:14: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 488 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:514:33: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 514 | $ g_movec, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:515:33: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 515 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:532:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 532 | $ g_movec, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:533:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 533 | $ g_tmp1, 1, nbf, 1, nopen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:551:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 551 | $ g_movec, ooff, oend, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:552:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 552 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf_dens.F... Compiling movecs_phase.F... Compiling riscf_fock.F... Compiling riscf_init.F... Compiling riscf_list.F... riscf_list.F:101:40: 101 | logical function riscf_del_3c_ints (handle) | ^ Warning: '__result_riscf_del_3c_ints' may be used uninitialized [-Wmaybe-uninitialized] Compiling riscf_tidy.F... Compiling riscf_trans.F... riscf_trans.F:96:61: 64 | call ga_get (g_indx, i, i, j, j, indx, 1) | 2 ...... 96 | call ga_get (g_Vsqrt, 1, Nff, sfirst, slast, V_row, Nff) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling do_riscf.F... Compiling riscf_dovecs.F... Compiling rohf_scat.F... rohf_scat.F:124:35: 109 | if (.not.int_normalize(rtdb,basis)) | 2 ...... 124 | if (.not. int_normalize(rtdb,all_bas_han)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). rohf_scat.F:148:26: 119 | if (.not. bas_numbf(all_bas_han, nbf_all)) | 2 ...... 148 | if (.not. bas_numbf(basis, nbf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). rohf_scat.F:235:33: 232 | if (.not. bas_ce2bfr(basis, iat, ilo, ihi)) | 2 ...... 235 | if (.not. bas_ce2bfr(all_bas_han, iat, jlo, jhi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). rohf_scat.F:264:25: 146 | call ga_orthog_mos(basis, g_vecs) | 2 ...... 264 | call ga_orthog_mos(all_bas_han, g_all) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). rohf_scat.F:279:40: 133 | g_vecs = ga_create_atom_blocked(geom,basis,'Molecular orbital') | 2 ...... 279 | & ga_create_atom_blocked(geom, all_bas_han, 'rohf: cdens') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling uhf.F... Compiling uhf_hessv.F... uhf.F:2010:31: 429 | call movecs_fix_phase(g_movecs) | 2 ...... 2010 | call movecs_fix_phase(g_u) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1696:11: 361 | if (.not.rtdb_get(rtdb, 'scf:noscf', mt_log, 1, noscf)) | 2 ...... 1696 | $ max_precond_sub)) max_precond_sub = 10 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). uhf.F:813:23: 397 | call ga_print(g_movecs) | 2 ...... 813 | call ga_print(g_a_dens) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:814:23: 397 | call ga_print(g_movecs) | 2 ...... 814 | call ga_print(g_b_dens) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1005:23: 397 | call ga_print(g_movecs) | 2 ...... 1005 | call ga_print(g_a_coul) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1006:23: 397 | call ga_print(g_movecs) | 2 ...... 1006 | call ga_print(g_a_exch) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1217:23: 397 | call ga_print(g_movecs) | 2 ...... 1217 | call ga_print(g_a_coul) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1218:23: 397 | call ga_print(g_movecs) | 2 ...... 1218 | call ga_print(g_b_coul) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1229:23: 397 | call ga_print(g_movecs) | 2 ...... 1229 | call ga_print(cuhf_g_falpha) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1230:23: 397 | call ga_print(g_movecs) | 2 ...... 1230 | call ga_print(cuhf_g_fbeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1591:32: 397 | call ga_print(g_movecs) | 2 ...... 1591 | if (odebug) call ga_print(g_grad) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling fock_2e_rep.F... Compiling uhf_hessv2.F... Compiling print_integ_list.F... Compiling print_1eints.F... Compiling riscf_square.F... riscf_square.F:75:57: 50 | call ga_get (g_indx, 1, ish, ish, ish, indx, ish) | 2 ...... 75 | call ga_get (g_three, first, last, in, in, three, nint) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling riscf_io.F... Compiling movecs_pr_anal.F... Compiling rohf_lagr.F... Compiling rohf_diis.F... rohf_diis.F:164:23: 164 | $ g_movecs, 0.d0, g_tmp ) | 1 ...... 414 | $ g_tmp2, 0.d0, g_tmp1 ) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_diis.F:167:54: 167 | call ga_dgemm( 'n', 'n', nbf, nbf, nbf, 1.d0, g_movecs, | 1 ...... 413 | call ga_dgemm( 'n', 'n', nbf, nbf, nbf, 1.d0, g_fock, | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_diis.F:174:34: 174 | call rohf_errvec( g_fock, g_movecs, g_over, g_xorth, | 1 Warning: Rank mismatch in argument 'g_vecs' at (1) (scalar and rank-1) Compiling rhf_fock.F... Compiling multipole.F... Compiling ga_mat_to_vec.F... Compiling movecs_frag.F... movecs_frag.F:84:63: 56 | $ call errquit('movecs_fragment: no fragment info?',0, | 2 ...... 84 | $ call errquit('movecs_fragment: GA for frag MOs', nmo_frag, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling localize.F... Compiling int_dip_ga.F... localize.F:78:24: 78 | call ga_get(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 519 | call ga_get(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:80:24: 80 | call ga_put(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 615 | call ga_put(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:85:24: 85 | call ga_get(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 519 | call ga_get(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:87:24: 87 | call ga_put(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 615 | call ga_put(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:126:39: 126 | $ nloc, iloc, nbf, nmo, g_movecs, g_sc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:136:36: 136 | $ nloc, iloc, nbf, nmo, g_movecs, g_sc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:145:36: 145 | $ nloc, iloc, nbf, nmo, g_movecs, g_sc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:195:39: 195 | $ nloc, iloc, nbf, nmo, g_movecs, g_uc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:205:36: 205 | $ nloc, iloc, nbf, nmo, g_movecs, g_uc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:214:36: 214 | $ nloc, iloc, nbf, nmo, g_movecs, g_uc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:760:20: 17 | $ 1.0d0, g_over, g_movecs, 0.0d0, g_sc) | 2 ...... 760 | & 1.0d0, g_c, g_c, 0.0d0, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) localize.F:905:20: 17 | $ 1.0d0, g_over, g_movecs, 0.0d0, g_sc) | 2 ...... 905 | & 1.0d0, g_c, g_c, 0.0d0, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling fock_xc.F... fock_xc.F:117:54: 103 | & calc_type)) then | 2 ...... 117 | if (.not.rtdb_get(rtdb, 'dft:cgmin', mt_log, 1, lcgmin)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). fock_xc.F:194:28: 194 | = dft_npatch(g_dens,i,nbf_ao,geom,ao_bas_han) | 1 Warning: Rank mismatch in argument 'g_dens' at (1) (scalar and rank-1) fock_xc.F:205:44: 205 | int_mb(igxcd+i-1)=dft_npatch(g_dens,i+nfock_xc-1, | 1 Warning: Rank mismatch in argument 'g_dens' at (1) (scalar and rank-1) fock_xc.F:359:33: 359 | call nga_copy_patch('N',g_xc,alo,ahi, | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_xc.F:360:12: 360 | & g_xc,blo,bhi) | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_xc.F:366:33: 366 | call nga_copy_patch('N',g_xc,alo,ahi, | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_xc.F:367:12: 367 | & g_xc,blo,bhi) | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling fock_j_fit.F... fock_j_fit.F:17:45: 17 | call fock_j_fit_gen(nmat, g_dens, g_j, 0d0, .false., .true.) | 1 Warning: Rank mismatch in argument 'tvec' at (1) (rank-1 and scalar) Compiling rohf_jkfac.F... Compiling uhf_jkfac.F... Compiling rohf_hessv3.F... rohf_hessv3.F:862:54: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 862 | call nga_copy_patch('N',g_fock(ipm),alo,ahi,g_tmp1,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:863:54: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 863 | call nga_copy_patch('N',g_dens(ipm),alo,ahi,g_dcv,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:882:15: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 882 | & g_tmp2,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:883:56: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 883 | call nga_copy_patch('N',g_dens(ipm),alo,ahi,g_dcp,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:888:15: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 888 | & g_tmp3,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:890:15: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 890 | & g_dpv,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:69:17: 69 | $ pflg, g_movecs, oskel, noskew, | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) Compiling fock_2e_cam.F... fock_2e_cam.F:118:49: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 118 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:118:55: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 118 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:134:51: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 134 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:134:57: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 134 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:140:50: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 140 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:140:56: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 140 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ga_get2eri.F... Compiling scf_frozemb.F... Compiling print_integrals.F... Compiling rohf_hessv2_ext.F... rohf_hessv2_ext.F:102:72: 102 | chunk(1) = dims(1) | ^ Warning: 'dims' is used uninitialized [-Wuninitialized] rohf_hessv2_ext.F:53:21: 53 | integer dims(3),chunk(3), | ^ note: 'dims' declared here Compiling rohf_hessv3_ext.F... rohf_hessv3_ext.F:88:11: 88 | & g_movecs, | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) rohf_hessv3_ext.F:429:11: 429 | & g_movecs, ! in : MO coefficients | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) Compiling uhf_hessv2_ext.F... Compiling uhf_precond_ext.F... Compiling scf_dump_evp_input.F... uhf_hessv2_ext.F:4115:72: 4115 | & GA_ERR) | 1 Warning: Missing actual argument for argument '_formal_8' at (1) uhf_hessv2_ext.F:2779:72: 2779 | & GA_ERR) | 1 Warning: Missing actual argument for argument '_formal_8' at (1) scf_dump_evp_input.F:74:72: 74 | & action="write",status="replace") | ^ Warning: 'funit' may be used uninitialized [-Wmaybe-uninitialized] scf_dump_evp_input.F:18:22: 18 | integer :: funit | ^ note: 'funit' declared here Compiling cosmo_fock.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ddscf' uhf_hessv2_ext.F:3799:72: 3799 | chunk(1) = dims(1) | ^ Warning: 'dims' is used uninitialized [-Wuninitialized] uhf_hessv2_ext.F:3758:21: 3758 | & dims(3),chunk(3) | ^ note: 'dims' declared here Making all in fast make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ddscf/fast' uhf_hessv2_ext.F:2458:72: 2458 | chunk(1) = dims(1) | ^ Warning: 'dims' is used uninitialized [-Wuninitialized] uhf_hessv2_ext.F:2418:21: 2418 | & dims(3),chunk(3) | ^ note: 'dims' declared here uhf_hessv2_ext.F:343:72: 343 | chunk(1) = dims(1) | ^ Warning: 'dims' is used uninitialized [-Wuninitialized] uhf_hessv2_ext.F:303:21: 303 | & dims(3),chunk(3) | ^ note: 'dims' declared here Compiling fock_2e_task.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ddscf/fast' Compiling fock_2e_slab.F... Compiling fock_2e_lab.F... fock_2e_lab.F:1609:46: 1609 | call fock_2e_rep_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'jfac' at (1) (scalar and rank-1) fock_2e_lab.F:1609:52: 1609 | call fock_2e_rep_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'kfac' at (1) (scalar and rank-1) fock_2e_lab.F:2039:50: 2039 | call fock_2e_rep_mod_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'jfac' at (1) (scalar and rank-1) fock_2e_lab.F:2039:56: 2039 | call fock_2e_rep_mod_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'kfac' at (1) (scalar and rank-1) Compiling fock_labscal.F... Compiling fock_2e_c.F... Compiling fock_scale.F... Compiling fock_densc.F... Compiling xlm_poles.F... Compiling schwarz_atom.F... Compiling cheby.F... Compiling comp4_ext.F... Compiling fastj.F... Compiling schwarz_sh.F... fastj.F:170:11: 158 | if (.not. rtdb_get(rtdb, 'fastj:depth', mt_int, 1, depth)) | 2 ...... 170 | $ oversample)) oversample = 1.8d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). fastj.F:1994:36: 650 | $ radial*double_factorial(n+l+1)/ | 2 ...... 1994 | $ 2d0*log(double_factorial(n))+ | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling anlfit.F... Compiling int2e_file.F... anlfit.F:615:72: 615 | D(1)=PTWO | ^ Warning: 'ptwo' may be used uninitialized [-Wmaybe-uninitialized] anlfit.F:598:42: 598 | DOUBLE PRECISION C(*),D(*),PONE,PTWO,X(*),XX,WORK(*) | ^ note: 'ptwo' was declared here fastj.F:1639:72: 1639 | dbl_mb(k_v_r+j-1) = dbl_mb(k_v_r+j-1) - potgrid | ^ Warning: 'potgrid' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:1256:47: 1256 | double precision x, y, z, potfmm, potgrid, fact | ^ note: 'potgrid' was declared here Compiling cart_trans.F... Compiling gauleg.f... Compiling ao_replicated.F... Compiling solver.F... fastj.F:541:41: 541 | if (nx.gt.maxn .or. ny.gt.maxn .or. nz.gt.maxn) call errquit | ^ Warning: 'nx' is used uninitialized [-Wuninitialized] fastj.F:503:19: 503 | integer k, nx, ny, nz, nnx, nny, nnz, jk, jjkk, ijk, ind, ptr | ^ note: 'nx' declared here fastj.F:541:41: 541 | if (nx.gt.maxn .or. ny.gt.maxn .or. nz.gt.maxn) call errquit | ^ Warning: 'ny' is used uninitialized [-Wuninitialized] fastj.F:503:23: 503 | integer k, nx, ny, nz, nnx, nny, nnz, jk, jjkk, ijk, ind, ptr | ^ note: 'ny' declared here fastj.F:541:41: 541 | if (nx.gt.maxn .or. ny.gt.maxn .or. nz.gt.maxn) call errquit | ^ Warning: 'nz' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:503:27: 503 | integer k, nx, ny, nz, nnx, nny, nnz, jk, jjkk, ijk, ind, ptr | ^ note: 'nz' declared here fastj.F:736:72: 736 | $ x-a, y-b, z-c, q, lmax) | ^ Warning: 'x' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:507:36: 507 | double precision hfmm, dist, x, y, z, totalq, rootpi, radial, | ^ note: 'x' was declared here fastj.F:736:72: 736 | $ x-a, y-b, z-c, q, lmax) | ^ Warning: 'y' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:507:39: 507 | double precision hfmm, dist, x, y, z, totalq, rootpi, radial, | ^ note: 'y' was declared here fastj.F:736:72: 736 | $ x-a, y-b, z-c, q, lmax) | ^ Warning: 'z' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:507:42: 507 | double precision hfmm, dist, x, y, z, totalq, rootpi, radial, | ^ note: 'z' was declared here solver.F:1030:15: 1029 | do j = 0,lmax | 2 1030 | yp(j,i) = yy | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1031:15: 1029 | do j = 0,lmax | 2 1030 | yp(j,i) = yy 1031 | zp(j,i) = zz | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1055:34: 1054 | do j = 0, lmax | 2 1055 | yf(j) = yf(j) + yp(j,l)*f(l,m) | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1060:46: 1058 | do k = 0,lmax | 2 1059 | do j = 0,lmax 1060 | q2d(j,k) = q2d(j,k) + yf(j)*zp(k,m) | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) ao_replicated.F:988:72: 988 | do i = ilo, ihi | ^ Warning: 'ilo' may be used uninitialized [-Wmaybe-uninitialized] ao_replicated.F:916:17: 916 | integer ilo, ihi, inprim, ingen, itype | ^ note: 'ilo' declared here ao_replicated.F:988:72: 988 | do i = ilo, ihi | ^ Warning: 'ihi' may be used uninitialized [-Wmaybe-uninitialized] ao_replicated.F:916:22: 916 | integer ilo, ihi, inprim, ingen, itype | ^ note: 'ihi' declared here Compiling vsint.F... vsint.F:999:72: 999 | n4=n5 | ^ Warning: 'n5' is used uninitialized [-Wuninitialized] vsint.F:999:11: 999 | n4=n5 | ^ note: 'n5' was declared here Compiling pot_shell.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ddscf' Compiling fastj_direct.F... pot_shell.F:88:52: 88 | double precision qm2, qm1, q0, qp1, qp2, start | ^ Warning: 'start' may be used uninitialized [-Wmaybe-uninitialized] Compiling fastj_range.f... Compiling newfmm.F... newfmm.F:1152:26: 999 | call ifill(ncells,.false.,log_mb(k_probe),1) | 2 ...... 1152 | call ifill(n_cells, -1, int_mb(k_tree), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). newfmm.F:1152:30: 999 | call ifill(ncells,.false.,log_mb(k_probe),1) | 2 ...... 1152 | call ifill(n_cells, -1, int_mb(k_tree), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling potential.F... solver.F:99:72: 99 | $ write(6,15) etime(tt) - start | ^ Warning: 'start' may be used uninitialized [-Wmaybe-uninitialized] solver.F:34:32: 34 | real*4 etime, tt(2), start | ^ note: 'start' was declared here Compiling sint.F... sint.F:146:72: 146 | CALL RFFTI1(N,WSAVE(N+1),WSAVE(2*N+1)) | 1 Warning: Type mismatch in argument 'ifac' at (1); passed REAL(8) to INTEGER(8) sint.F:25:72: 25 | CALL SINT1(N,X,WSAVE,WSAVE(IW1),WSAVE(IW2),WSAVE(IW3)) | 1 Warning: Type mismatch in argument 'ifac' at (1); passed REAL(8) to INTEGER(8) newfmm.F:580:72: 580 | call xlm(lmax, x-xo, y-yo, z-zo, w, lq) | ^ Warning: 'xo' may be used uninitialized [-Wmaybe-uninitialized] newfmm.F:530:37: 530 | double precision hx, hy, hz, xo, yo, zo, sum, | ^ note: 'xo' was declared here newfmm.F:580:72: 580 | call xlm(lmax, x-xo, y-yo, z-zo, w, lq) | ^ Warning: 'yo' may be used uninitialized [-Wmaybe-uninitialized] newfmm.F:530:41: 530 | double precision hx, hy, hz, xo, yo, zo, sum, | ^ note: 'yo' was declared here newfmm.F:580:72: 580 | call xlm(lmax, x-xo, y-yo, z-zo, w, lq) | ^ Warning: 'zo' may be used uninitialized [-Wmaybe-uninitialized] newfmm.F:530:45: 530 | double precision hx, hy, hz, xo, yo, zo, sum, | ^ note: 'zo' was declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ddscf/fast' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ddscf/fast' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libddscf.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libddscf.a xlm_poles.o cheby.o fastj.o anlfit.o cart_trans.o gauleg.o solver.o vsint.o pot_shell.o fastj_direct.o fastj_range.o newfmm.o potential.o sint.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libddscf.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libddscf.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libddscf.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ddscf/fast' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ddscf/fast' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ddscf' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libddscf.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libddscf.a comp4_bins.o rhf_dens_mo.o comp4_insert.o scf_sym_adap.o rhf_fock_2e.o scf_lindep.o ga_atom_blk.o scf.o scf_input.o schwarz_init.o vectors_inp.o int_1e_ga.o schwarz_pr.o ga_orth_mos.o schwarz_tidy.o int2e_balance.o vectors.o scf_sym_scr.o ga_cont_blk.o mull_pop.o matrix_exp.o scf_pstat.o schwarz_max.o movecs_proj.o movecs_rotate.o movecs_molden.o ao_fock_2e.o movecs_lock.o fock_2e.o fock_2e_et.o fock_2e_a.o print_aoints.o fock_2e_b.o fock_upd_blk.o fock_2e_cdf.o fock_get_blk.o scf_vec_guess.o rohf.o rohf_nr_sol.o rohf_wrap.o rohf_canon.o rohf_k2cf.o rohf_precon.o rohf_shift.o rohf_step.o rohf_rotate.o scf_get_info.o rohf_hscale.o fock_2e_file.o rohf_hxx.o rohf_fock.o rohf_fock2g.o scf_movecs.o rohf_h1e.o rohf_h2e.o rohf_hessv2.o rohf_dens.o movecs_phase.o riscf_fock.o riscf_init.o riscf_list.o riscf_tidy.o riscf_trans.o do_riscf.o riscf_dovecs.o rohf_scat.o uhf.o uhf_hessv.o fock_2e_rep.o uhf_hessv2.o print_integ_list.o print_1eints.o riscf_square.o riscf_io.o movecs_pr_anal.o rohf_lagr.o rohf_diis.o rhf_fock.o multipole.o ga_mat_to_vec.o movecs_frag.o localize.o int_dip_ga.o fock_xc.o fock_j_fit.o rohf_jkfac.o uhf_jkfac.o rohf_hessv3.o fock_2e_cam.o ga_get2eri.o scf_frozemb.o print_integrals.o rohf_hessv2_ext.o rohf_hessv3_ext.o uhf_hessv2_ext.o uhf_precond_ext.o scf_dump_evp_input.o cosmo_fock.o fock_2e_task.o fock_2e_slab.o fock_2e_lab.o fock_labscal.o fock_2e_c.o fock_scale.o fock_densc.o schwarz_atom.o comp4_ext.o schwarz_sh.o int2e_file.o ao_replicated.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libddscf.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libddscf.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ddscf' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ddscf' Making libraries in gradients make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/gradients' Compiling gradients.F... Compiling grad_force.F... grad_force.F:252:63: 226 | if (.not. rtdb_get(rtdb,'slv:cosmo',mt_log,1,ocosmo)) then | 2 ...... 252 | if (.not. rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, xfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling grad1.F... Compiling scf_gradient.F... Compiling grad_dens.F... Compiling grad_inp.F... grad_inp.F:45:62: 40 | $ checkpoint)) | 2 ...... 45 | 200 if (.not. rtdb_put(rtdb,'gradients:restart', MT_LOG, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling ga_reorder.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/gradients' Compiling grad2.F... Compiling grad_getdens.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/gradients' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/gradients' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libgradients.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libgradients.a gradients.o grad_force.o grad1.o scf_gradient.o grad_dens.o grad_inp.o ga_reorder.o grad2.o grad_getdens.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libgradients.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libgradients.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libgradients.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/gradients' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/gradients' Making libraries in moints make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/moints' Compiling atwtest.F... Compiling direct_mp2.F... direct_mp2.F:118:58: 59 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 118 | if (.not. rtdb_get(rtdb, 'dft:energy', MT_DBL, 1, scf_energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mointdriver.F... mointdriver.F:96:28: 90 | if (.not. rtdb_get(rtdb, 'mp2:aotol2e', mt_dbl, 1, tol2e)) | 2 ...... 96 | $ 1, odisk)) odisk = .false. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling moints_1e.F... Compiling moints_dbg.F... Compiling moints_gsh1.F... Compiling moints_mem.F... Compiling moints_mp2.F... moints_mp2.F:167:54: 163 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 2 ...... 167 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling moints_stats.F... moints_stats.F:54:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 54 | call ga_dgop(msg_moints_stats_2,mi_maxsynch,1,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_stats.F:55:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 55 | call ga_dgop(msg_moints_stats_3,mi_minsynch,1,'min') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_stats.F:56:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 56 | call ga_dgop(msg_moints_stats_4,mi_maxtask,1,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_stats.F:57:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 57 | call ga_dgop(msg_moints_stats_5,mi_mintask,1,'min') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling moints_full.F... moints_full.F:886:42: 626 | call ga_get(g_coul, 1, nact2, ij, ij, g, 1) | 2 ...... 886 | call ga_get(g_tmp, 1, nbf, i, i, work, nbf) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_full.F:887:52: 710 | call ga_put(g_mofock, 1, hi, i, i, buf, 1) | 2 ...... 887 | call ga_put(g_vecs,1, nbf, map(i), map(i), work, nbf) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_full.F:192:11: 103 | if (.not. rtdb_get(rtdb,'selci:cckohn_ci',mt_log,1,cckohn_ci)) | 2 ...... 192 | $ occ_frozen)) occ_frozen = 0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). moints_full.F:374:72: 374 | $ nsym, sym_lo, sym_hi) | 1 Warning: Type mismatch in argument 'work' at (1); passed REAL(8) to INTEGER(8) Compiling sifs0.F... sifs0.F:236:72: 236 | nbig = ( ( nbig + 2*chunk ) / chunk ) * chunk | ^ Warning: 'chunk' may be used uninitialized [-Wmaybe-uninitialized] sifs0.F:138:25: 138 | integer nbig, chunk, nword, ibvfac, space | ^ note: 'chunk' was declared here sifs0.F:236:72: 236 | nbig = ( ( nbig + 2*chunk ) / chunk ) * chunk | ^ Warning: 'nbig' may be used uninitialized [-Wmaybe-uninitialized] sifs0.F:138:18: 138 | integer nbig, chunk, nword, ibvfac, space | ^ note: 'nbig' was declared here Compiling sifs1.F... sifs1.F:1371:13: 911 | & fcore, ibitv, ierr ) | 2 ...... 1371 | & wdummy, idummy, ierr ) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/moints' sifs1.F:2034:72: 2034 | do 250 i = (i1+skipd), i2 | ^ Warning: 'skipd' may be used uninitialized [-Wmaybe-uninitialized] sifs1.F:1914:36: 1914 | & jsym, j1, numtx, skipd, j2 | ^ note: 'skipd' was declared here Compiling moints_cutil.c... Compiling moints_aodisk.F... moints_aodisk.F:1719:22: 1719 | if (.not.(sprs_verify(llen,klen,itmp(1), | 1 Warning: Type mismatch in argument 'ir' at (1); passed INTEGER(8) to INTEGER(2) moints_aodisk.F:922:23: 922 | call icopy( 1, recptr, 1, iorec(1), 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_aodisk.F:922:34: 922 | call icopy( 1, recptr, 1, iorec(1), 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). moints_aodisk.F:996:72: 996 | $ iorec(irrp), iorec(drp), nnz1 ) | 1 Warning: Type mismatch in argument 'colp' at (1); passed REAL(8) to INTEGER(8) moints_aodisk.F:996:72: 996 | $ iorec(irrp), iorec(drp), nnz1 ) | 1 Warning: Type mismatch in argument 'ir' at (1); passed REAL(8) to INTEGER(2) moints_aodisk.F:1165:38: 1165 | call icopy( 1, iorec(1), 1, nexthdrp, 1 ) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1172:41: 1172 | 101 call icopy( 1, iorec(nexthdrp), 1, magic, 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1285:72: 1285 | $ ssbb(lblo,kblo,j,i) ) | 1 Warning: Type mismatch in argument 'ir' at (1); passed INTEGER(8) to INTEGER(2) moints_aodisk.F:1606:29: 1606 | call icopy(1, r(1), 1, hdrp, 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1614:72: 1614 | call moints_aodisk_ijprint( ilen, jlen, r(ijp) ) | 1 Warning: Type mismatch in argument 'ijmap' at (1); passed REAL(8) to INTEGER(2) moints_aodisk.F:1566:35: 1566 | call icopy(1, iorec(1), 1, hdrp, 1 ) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1652:29: 1652 | call icopy(1, r(1), 1, hdrp, 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1660:18: 1660 | if (.not.(ao_ijverify( ilen, jlen, klen, llen, | 1 Warning: Type mismatch in argument 'ijmap' at (1); passed INTEGER(8) to INTEGER(2) Compiling moints_2x.F... Compiling moints_6x.F... Compiling moints_semi.F... Compiling moints_aux2.F... moints_semi.F:1255:33: 1184 | if (eaf_read(munit, faddr, t, rlen).ne.0) | 2 ...... 1255 | if (eaf_read(munit, ioptr, v, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_semi.F:307:34: 307 | if (eaf_write(kunit, 0.d0, vtmp, | 1 ...... 959 | ierr=eaf_write(munit, faddr, dbl_mb(k_local+ooffset), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_semi.F:321:60: 163 | if (rtdb_get(rtdb, 'mp2:mxrlen', mt_int, 1, mxrlen_in)) | 2 ...... 321 | if (.not. rtdb_get(rtdb, 'mp2:copyback', mt_log, 1, mp2cpybck)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). moints_semi.F:1116:42: 849 | call ga_put( g_buf, ijolo, ijohi, 1, nvir, h2, nij ) | 2 ...... 1116 | call ga_put(g_epair,1,1,oj,oj,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/moints' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/moints' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libmoints.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libmoints.a atwtest.o direct_mp2.o mointdriver.o moints_1e.o moints_dbg.o moints_gsh1.o moints_mem.o moints_mp2.o moints_stats.o moints_full.o sifs0.o sifs1.o moints_cutil.o moints_aodisk.o moints_2x.o moints_6x.o moints_semi.o moints_aux2.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libmoints.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libmoints.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libmoints.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/moints' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/moints' Making libraries in nwdft make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft' Compiling nwdft.F... nwdft.F:224:57: 171 | if (rtdb_get(rtdb,'dyall_mod_dir',mt_log,1,dyall_mod_dir)) then | 2 ...... 224 | if(.not.rtdb_get(rtdb,'cosmo_phase',mt_int,1,cosmo_phase)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Making all in include make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/include' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/include' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/include' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/include' Making all in input_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/input_dft' Compiling dft_inpana.F... dft_inpana.F:1087:28: 1069 | if (.not. rtdb_put(rtdb, 'dft:ipol', mt_int, 1, ipol)) | 2 ...... 1087 | & mt_dbl, numfunc, cfac(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_inpana.F:1108:55: 1066 | if(rtdb_get(rtdb, 'scf:nopen', MT_INT, 1, nopen)) then | 2 ...... 1108 | if (.not.rtdb_get(rtdb, 'scf:thresh', MT_DBL, 1, thresh)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling dft_rdinput.F... dft_rdinput.F:99:52: 73 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 99 | if (.not. rtdb_get(rtdb, 'charge', MT_DBL, 1, rcharge))then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_rdinput.F:206:23: 110 | & mt_log, 1, nodamping)) | 2 ...... 206 | & mt_int, 1, iterations)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dft_input.F... dft_input.F:184:53: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 184 | if (.not. rtdb_put(rtdb, 'dft:direct',mt_log,1,direct)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_input.F:348:59: 113 | if (.not. rtdb_get(rtdb, 'dft:ipol', mt_int, 1, ipol)) | 2 ...... 348 | if (.not. rtdb_get(rtdb, 'dft:gonwxc', mt_log, 1, gonwxc)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_input.F:483:7: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 483 | & nmo_fon)) call errquit('dft_input: rtdb_put failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_input.F:486:7: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 486 | & ncore_fon)) call errquit('dft_input: rtdb_put failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_input.F:619:24: 416 | 2200 if (.not. inp_f(smear_sigma)) then | 2 ...... 619 | if (.not. inp_f(alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). dft_input.F:924:52: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 924 | if (.not.rtdb_put(rtdb,'dft:owstart',mt_int,2,owstart)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_input.F:926:50: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 926 | if (.not.rtdb_put(rtdb,'dft:owend',mt_int,2,owend)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tol_inp.F... tol_inp.F:70:57: 56 | if (.not. rtdb_put(rtdb, 'dft:ltight', mt_log, 1, ltight)) | 2 ...... 70 | if (.not. rtdb_put(rtdb, 'dft:tol_rho', mt_dbl, 1, tol_rho)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling grid_inp.F... grid_inp.F:144:60: 81 | if (.not. rtdb_put(rtdb, 'dft:delley', mt_log, 1, ldelley)) | 2 ...... 144 | if (.not. rtdb_put(rtdb, 'dft:nradpts', mt_int, 1, nradpts)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling xc_inp.F... xc_inp.F:4094:55: 3890 | if (.not.rtdb_put(rtdb,'dft:ivdw', mt_int, 1, ivdw)) | 2 ...... 4094 | if (.not. rtdb_put(rtdb,'dft:mp2fac', mt_dbl, 1, mp2fac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling conv_inp.F... conv_inp.F:191:55: 77 | if (.not. rtdb_put(rtdb, 'dft:e_conv', mt_dbl, 1, e_conv)) | 2 ...... 191 | if (.not. rtdb_put(rtdb, 'dft:ncydp', mt_int, 1, ncydp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). conv_inp.F:391:61: 77 | if (.not. rtdb_put(rtdb, 'dft:e_conv', mt_dbl, 1, e_conv)) | 2 ...... 391 | if (.not.rtdb_put(rtdb,'dft:level shift info',MT_DBL,6,scfshift)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) conv_inp.F:407:61: 77 | if (.not. rtdb_put(rtdb, 'dft:e_conv', mt_dbl, 1, e_conv)) | 2 ...... 407 | if (.not.rtdb_put(rtdb,'dft:level shift info',MT_DBL,6,scfshift)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cdft_inp.F... cdft_inp.F:71:54: 32 | if (.not.rtdb_get(rtdb,'dft:grid_make_sa',mt_log,1,grid_make_sa)) | 2 ...... 71 | if (.not. rtdb_get(rtdb,'dft:ipop', mt_int, 1, ipop)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). cdft_inp.F:89:53: 66 | if (.not. rtdb_put(rtdb,'dft:dl_conv', mt_dbl, 1, dl_conv)) | 2 ...... 89 | if (.not. rtdb_put(rtdb,'dft:ipop', mt_int, 1, ipop)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling occup_input.F... occup_input.F:196:52: 194 | if (.not. rtdb_put(rtdb,'focc:occup_switch',mt_int,1,switch_focc)) | 2 195 | & call errquit(pname//'rtdb_put failed', 1201, RTDB_ERR) 196 | if (.not. rtdb_put(rtdb,'focc:occup',mt_int,2,nfocc_in)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) occup_input.F:199:23: 194 | if (.not. rtdb_put(rtdb,'focc:occup_switch',mt_int,1,switch_focc)) | 2 ...... 199 | & mt_dbl,nfocc,dbl_mb(k_occ))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/input_dft' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a dft_inpana.o dft_rdinput.o dft_input.o tol_inp.o grid_inp.o xc_inp.o conv_inp.o cdft_inp.o occup_input.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/input_dft' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/input_dft' Making all in scf_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/scf_dft' Compiling dft_swapab.F... Compiling dft_main0d.F... dft_main0d.F:118:59: 115 | if (.not. rtdb_put(rtdb, 'dft:energy', MT_DBL, 1, 0.d0)) | 2 ...... 118 | if (.not. rtdb_put(rtdb, 'dft:converged', MT_LOG, 1, .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). dft_main0d.F:140:50: 134 | if (.not. rtdb_get(rtdb, 'dft:scalanb',mt_int,1,nb)) | 2 ...... 140 | if(rtdb_get(rtdb,'bgj:xc_active', MT_LOG, 1,xc_active)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling dft_scf.F... dft_scf.F:276:43: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 276 | $ (rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_scf.F:405:7: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 405 | & nmo_fon)) call errquit('dft_scf: rtdb_get failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:408:7: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 408 | & ncore_fon)) call errquit('dft_scf: rtdb_get failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:459:53: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 459 | if (.not. rtdb_get(rtdb, 'dft:noc', mt_int, 2, noc)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:755:61: 363 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 755 | if (.not. rtdb_put(rtdb, 'dft:pstrace', mt_dbl, 1, pstrace)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_scf.F:1125:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1125 | $ rtdb_get(rtdb,'dft:iatms1', mt_int, nconstr,iatms1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1126:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1126 | $ .and. rtdb_get(rtdb,'dft:iatms2', mt_int, nconstr,iatms2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1127:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1127 | $ .and. rtdb_get(rtdb,'dft:fatms1', mt_int, nconstr,fatms1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1128:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1128 | $ .and. rtdb_get(rtdb,'dft:fatms2', mt_int, nconstr,fatms2) )) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1132:61: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1132 | if (.not. rtdb_get(rtdb,'dft:dtype', mt_int, nconstr,dtype)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1773:32: 1771 | call ecce_print1 ('iteration counter', mt_int, iter, 1) | 2 1772 | call ecce_print1 ('iterative total energy difference', 1773 | & mt_dbl, delta, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_scf.F:2466:53: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 2466 | if (.not. rtdb_get(rtdb,'dft:owstart',mt_int,2,owstart)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:2468:51: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 2468 | if (.not. rtdb_get(rtdb,'dft:owend',mt_int,2,owend)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling print_irrep_occp.F... Compiling dft_fockbld.F... dft_scf.F:1595:13: 1595 | if(lvan) then | ^ Warning: 'lvan' may be used uninitialized [-Wmaybe-uninitialized] dft_scf.F:56:18: 56 | logical lvan, do_ddl, lbrak, check | ^ note: 'lvan' was declared here dft_scf.F:1313:72: 1313 | & time2-time1 | ^ Warning: 'time1' may be used uninitialized [-Wmaybe-uninitialized] dft_scf.F:206:28: 206 | double precision time1,time2 | ^ note: 'time1' was declared here dft_scf.F:1313:72: 1313 | & time2-time1 | ^ Warning: 'time2' may be used uninitialized [-Wmaybe-uninitialized] dft_scf.F:206:34: 206 | double precision time1,time2 | ^ note: 'time2' was declared here dft_fockbld.F:125:42: 120 | $ rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 125 | $ rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dft_fockbld.F:392:39: 293 | if (.not.ga_duplicate(g_focks(1),g_cosmo,'cosmo')) | 2 ...... 392 | if(.not.ga_duplicate(g_vxc(1), g_vdim, 'dim:1')) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:394:21: 195 | call ga_zero(g_fock) | 2 ...... 394 | call ga_zero(g_vdim) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:397:34: 212 | Ecore = ga_ddot(g_dens(1), g_fock) | 2 ...... 397 | Edim = ga_ddot(g_dens(1), g_vdim) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:646:27: 323 | call ga_dadd(1d0, g_dens(1), -1d0, g_dens(2), g_dens(1)) | 2 ...... 646 | call ga_dadd(1.d0, g_vdim, 1.d0, g_focks(1), g_focks(1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:650:29: 300 | if (.not.ga_destroy(g_cosmo)) | 2 ...... 650 | if (.not. ga_destroy(g_vdim)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:207:72: 207 | & time2_ke-time1_ke | ^ Warning: 'time1_ke' may be used uninitialized [-Wmaybe-uninitialized] dft_fockbld.F:81:31: 81 | double precision time1_ke,time2_ke | ^ note: 'time1_ke' was declared here dft_fockbld.F:207:72: 207 | & time2_ke-time1_ke | ^ Warning: 'time2_ke' may be used uninitialized [-Wmaybe-uninitialized] dft_fockbld.F:81:40: 81 | double precision time1_ke,time2_ke | ^ note: 'time2_ke' was declared here dft_fockbld.F:282:72: 282 | & time2_pot-time1_pot | ^ Warning: 'time1_pot' may be used uninitialized [-Wmaybe-uninitialized] dft_fockbld.F:82:32: 82 | double precision time1_pot,time2_pot | ^ note: 'time1_pot' was declared here dft_fockbld.F:282:72: 282 | & time2_pot-time1_pot | ^ Warning: 'time2_pot' may be used uninitialized [-Wmaybe-uninitialized] dft_fockbld.F:82:42: 82 | double precision time1_pot,time2_pot | ^ note: 'time2_pot' was declared here Compiling dft_scfutil.F... dft_scfutil.F:109:72: 109 | & 1, 1, nbf_ao, 1, 1) | 1 Warning: More actual than formal arguments in procedure call at (1) dft_scfutil.F:153:58: 151 | & frac_occ )) frac_occ=.false. | 2 152 | c 153 | if (.not.rtdb_get(rtdb,'focc:occup_switch',mt_int,1,ifocc)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dft_symbr.F... Compiling dft_pstat.F... Compiling fukui.F... Compiling dft_canorg.F... dft_canorg.F:221:53: 212 | if (rtdb_get(rtdb, 'lindep:tol', mt_dbl, 1, toll_s).or. | 2 ...... 221 | if (rtdb_get(rtdb, 'lindep:n_dep', mt_int, 1, n_dep)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dft_diagn.F... dft_canorg.F:476:72: 476 | dft_nonzvecs=max(noc,dft_nonzvecs) | ^ Warning: '__result_dft_nonzvecs' may be used uninitialized [-Wmaybe-uninitialized] dft_canorg.F:420:35: 420 | integer function dft_nonzvecs(g_vecs,nbf,noc) | ^ note: '__result_dft_nonzvecs' was declared here Compiling dft_dump_info.F... dft_diagn.F:170:72: 170 | write(*,"(4x,'Diagonalization Time:',F13.1,'s')") time2-time1 | ^ Warning: 'time1' may be used uninitialized [-Wmaybe-uninitialized] dft_diagn.F:51:28: 51 | double precision time1,time2 | ^ note: 'time1' was declared here Compiling dft_fant.F... Compiling dft_printinfo.F... Compiling dft_fock_efield.F... dft_fock_efield.F:95:72: 95 | $ call errquit (pname//"invalid negative exp_cutoff") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling dft_frac_mo.F... dft_frac_mo.F:59:9: 44 | loccup = rtdb_get(rtdb,'focc:occup',mt_int,2,nfocc_in) ! read both nfocc_in(1) and nfocc_in(2) | 2 ...... 59 | & dbl_mb(k_occ)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling dft_nwmolden.F... dft_nwmolden.F:98:30: 57 | call ga_brdcst(2020, io_res, inntsize, 0) | 2 ...... 98 | call ga_brdcst(1984, eval, ispin, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling dft_spinflip.F... Compiling dft_quickguess.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/scf_dft' Compiling dft_dencvg.F... Compiling dft_densm.F... Compiling dft_invdiag.F... dft_densm.F:103:59: 103 | status=rtdb_get(rtdb,'focc:occup_switch', mt_int,1,switch_focc) | 1 ...... 510 | if (.not. rtdb_get(rtdb, 'dft:debugfon', mt_log, 1, debug)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dft_densm.F:147:31: 147 | if (.not. ga_duplicate(g_dens, g_tmp, 'ga_temp')) | 1 ...... 451 | if (.not. ga_duplicate(g_dens, g_tmp, 'ga_temp')) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_mxovl.F... Compiling dft_mxspin_ovlp.F... Compiling dft_s2_value.F... Compiling dft_scfcvg.F... Compiling diis_bld12.F... Compiling diis_bsolve.F... Compiling diis_core.F... Compiling diis_driver.F... Compiling diis_hamwgt.F... Compiling dft_fdist_init.F... Compiling cdft_util.F... cdft_util.F:965:11: 429 | if (.not. rtdb_get(rtdb, 'dft:nconstr', mt_int, 1, nconstr)) | 2 ...... 965 | $ multipliers(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/scf_dft' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/scf_dft' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a dft_swapab.o dft_main0d.o dft_scf.o print_irrep_occp.o dft_fockbld.o dft_scfutil.o dft_symbr.o dft_pstat.o fukui.o dft_canorg.o dft_diagn.o dft_dump_info.o dft_fant.o dft_printinfo.o dft_fock_efield.o dft_frac_mo.o dft_nwmolden.o dft_spinflip.o dft_quickguess.o dft_dencvg.o dft_densm.o dft_invdiag.o dft_mxovl.o dft_mxspin_ovlp.o dft_s2_value.o dft_scfcvg.o diis_bld12.o diis_bsolve.o diis_core.o diis_driver.o diis_hamwgt.o dft_fdist_init.o cdft_util.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/scf_dft' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/scf_dft' Making all in scf_dft_cg make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/scf_dft_cg' Compiling dft_cscf.F... Compiling dft_cg_answer.F... dft_cg_answer.F:39:56: 33 | if (.not. rtdb_put(rtdb,'scf:nclosed', mt_int, 1, nclosed)) | 2 ...... 39 | if (.not. rtdb_put(rtdb, 'dft:energy', MT_DBL, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling dft_cg_info.F... dft_cg_info.F:54:11: 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then | 2 ...... 54 | $ nr_gswitch)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_cg_info.F:60:56: 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then | 2 ...... 60 | if (.not.rtdb_get(rtdb, 'dft:skeleton',MT_LOG, 1, oskel)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). dft_cg_info.F:72:55: 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then | 2 ...... 72 | if (.not. rtdb_get(rtdb, 'dft:tol2e', MT_DBL, 1, tol2e)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dft_cg_guess.F... Compiling dft_cg_solve.F... dft_cg_solve.F:120:11: 113 | if (.not.rtdb_get(rtdb, 'dft:fon', mt_log, 1, fon)) fon=.false. | 2 ...... 120 | & ssmear))then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling dft_get_conv_info.F... Compiling dft_roks_energy.F... dft_roks_energy.F:108:45: 102 | $ rtdb,'cosmo:energy',mt_dbl,1,ecosmo)) | 2 ...... 108 | $ rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling dft_roks_fock.F... dft_roks_fock.F:384:25: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 384 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:384:46: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 384 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:407:25: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 407 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:407:46: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 407 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:450:58: 259 | if (.not. rtdb_put(rtdb,'dft:bq_energy',mt_dbl,1,Ebq)) | 2 ...... 450 | if (.not. rtdb_put(rtdb,'dft:xdmsave', mt_log, 1, .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). dft_roks_fock.F:435:72: 435 | & time2_2e-time1_2e | ^ Warning: 'time1_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_fock.F:110:31: 110 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_2e' was declared here dft_roks_fock.F:435:72: 435 | & time2_2e-time1_2e | ^ Warning: 'time2_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_fock.F:110:41: 110 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_2e' was declared here dft_roks_fock.F:472:72: 472 | & time2_xc-time1_xc | ^ Warning: 'time1_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_fock.F:110:51: 110 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_xc' was declared here dft_roks_fock.F:472:72: 472 | & time2_xc-time1_xc | ^ Warning: 'time2_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_fock.F:110:61: 110 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_xc' was declared here Compiling dft_roks_hessv_2e.F... dft_roks_hessv_2e.F:298:57: 282 | & calc_type)) then | 2 ...... 298 | if (.not. rtdb_get(rtdb, 'dft:rodft', mt_log, 1, rodft)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_roks_hessv_2e.F:265:72: 265 | & time2_2e-time1_2e | ^ Warning: 'time1_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_hessv_2e.F:38:31: 38 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_2e' was declared here dft_roks_hessv_2e.F:265:72: 265 | & time2_2e-time1_2e | ^ Warning: 'time2_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_hessv_2e.F:38:41: 38 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_2e' was declared here dft_roks_hessv_2e.F:371:72: 371 | & time2_xc-time1_xc | ^ Warning: 'time1_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_hessv_2e.F:38:51: 38 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_xc' was declared here dft_roks_hessv_2e.F:371:72: 371 | & time2_xc-time1_xc | ^ Warning: 'time2_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_hessv_2e.F:38:61: 38 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_xc' was declared here Compiling dft_roks_hessv.F... Compiling dft_roks_hessv_xx.F... Compiling dft_roks_nr_solve.F... dft_roks_nr_solve.F:292:72: 292 | & time2_rot-time1_rot | ^ Warning: 'time1_rot' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_nr_solve.F:58:32: 58 | double precision time1_rot, time2_rot | ^ note: 'time1_rot' was declared here dft_roks_nr_solve.F:292:72: 292 | & time2_rot-time1_rot | ^ Warning: 'time2_rot' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_nr_solve.F:58:43: 58 | double precision time1_rot, time2_rot | ^ note: 'time2_rot' was declared here Compiling dft_roks_search_precond.F... Compiling dft_roks_step_energy.F... Compiling dft_uks_energy.F... dft_uks_energy.F:331:49: 72 | & 'cphf_solve:cphf_uhf', mt_log, 1, cphf_uhf)) then | 2 ...... 331 | if (rtdb_get(rtdb,'dft:bq_energy',mt_dbl,1,Ebq)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_uks_energy.F:251:72: 251 | & time2_2e-time1_2e | ^ Warning: 'time1_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_energy.F:26:31: 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_2e' was declared here dft_uks_energy.F:251:72: 251 | & time2_2e-time1_2e | ^ Warning: 'time2_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_energy.F:26:41: 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_2e' was declared here dft_uks_energy.F:272:72: 272 | & time2_xc-time1_xc | ^ Warning: 'time1_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_energy.F:26:51: 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_xc' was declared here dft_uks_energy.F:272:72: 272 | & time2_xc-time1_xc | ^ Warning: 'time2_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_energy.F:26:61: 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_xc' was declared here Compiling dft_uks_hessv_2e.F... dft_uks_hessv_2e.F:204:72: 204 | & time2_2e-time1_2e | ^ Warning: 'time1_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_hessv_2e.F:41:31: 41 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_2e' was declared here dft_uks_hessv_2e.F:204:72: 204 | & time2_2e-time1_2e | ^ Warning: 'time2_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_hessv_2e.F:41:41: 41 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_2e' was declared here dft_uks_hessv_2e.F:265:72: 265 | & time2_xc-time1_xc | ^ Warning: 'time1_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_hessv_2e.F:41:51: 41 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_xc' was declared here dft_uks_hessv_2e.F:265:72: 265 | & time2_xc-time1_xc | ^ Warning: 'time2_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_hessv_2e.F:41:61: 41 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_xc' was declared here Compiling dft_uks_hessv.F... Compiling dft_uks_nr_solve.F... dft_uks_nr_solve.F:199:72: 199 | & time2_rot-time1_rot | ^ Warning: 'time1_rot' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_nr_solve.F:46:32: 46 | double precision time1_rot, time2_rot | ^ note: 'time1_rot' was declared here dft_uks_nr_solve.F:199:72: 199 | & time2_rot-time1_rot | ^ Warning: 'time2_rot' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_nr_solve.F:46:43: 46 | double precision time1_rot, time2_rot | ^ note: 'time2_rot' was declared here Compiling dft_uks_search_precond.F... Compiling dft_uks_step_energy.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/scf_dft_cg' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a dft_cscf.o dft_cg_answer.o dft_cg_info.o dft_cg_guess.o dft_cg_solve.o dft_get_conv_info.o dft_roks_energy.o dft_roks_fock.o dft_roks_hessv_2e.o dft_roks_hessv.o dft_roks_hessv_xx.o dft_roks_nr_solve.o dft_roks_search_precond.o dft_roks_step_energy.o dft_uks_energy.o dft_uks_hessv_2e.o dft_uks_hessv.o dft_uks_nr_solve.o dft_uks_search_precond.o dft_uks_step_energy.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/scf_dft_cg' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/scf_dft_cg' Making all in so_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/so_dft' Compiling dft_scf_so.F... dft_scf_so.F:311:37: 305 | $ (rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 311 | $ (rtdb,'cosmo:gcds',mt_dbl,1,gcds)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_scf_so.F:708:60: 348 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 708 | if (.not. rtdb_put(rtdb, 'dft:pstrace', mt_dbl, 1, pstrace)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_scf_so.F:1289:48: 1254 | call int_1e_ga(ao_bas_han, ao_bas_han, g_fock, 'kinetic', oskel) | 2 ...... 1289 | call int_1e_ga(ao_bas_han, ao_bas_han, g_so, 'so', oskel) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf_so.F:1886:32: 1884 | call ecce_print1 ('iteration counter', mt_int, iter, 1) | 2 1885 | call ecce_print1 ('iterative total energy difference', 1886 | & mt_dbl, -etold+etnew, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_scf_so.F:2326:53: 348 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 2326 | if(.not.rtdb_put(rtdb,'sodft:swap',mt_int,2,swap)) ! swap is queried in movecs_swap_so | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf_so.F:2351:53: 348 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 2351 | if(.not.rtdb_put(rtdb,'sodft:swap',mt_int,2,swap)) ! swap is queried in movecs_swap_so | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_densmso.F... Compiling dft_mxovlso.F... dft_scf_so.F:1760:72: 1760 | ihigh = nfilled + nmo_fon + nmo_fon2 | ^ Warning: 'nfilled' may be used uninitialized [-Wmaybe-uninitialized] dft_scf_so.F:60:21: 60 | integer nfilled, ilow, ihigh | ^ note: 'nfilled' was declared here Compiling grad_force_so.F... grad_force_so.F:269:63: 267 | if (.not. rtdb_get(rtdb, 'dft:cdfit', mt_log, 1, ocdfit)) | 2 268 | $ ocdfit = .false. 269 | if (.not. rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, xfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling dft_gradients_so.F... dft_gradients_so.F:486:34: 484 | call intdd_init(rtdb,2,nmo) | 2 485 | else 486 | call intdd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_gradients_so.F:526:33: 524 | call intd_init(rtdb,2,nmo) | 2 525 | else 526 | call intd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling vectors_so.F... Compiling grad_dens_so.F... vectors_so.F:164:43: 164 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, mdtob(nbf), 0) | 1 ...... 821 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, mitob(1), 0) ! Propagate status | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). vectors_so.F:264:48: 264 | $ 'movecs_gather_so: ga_destroy failed', g_tmp, GA_ERR) | 1 ...... 808 | $ call errquit('matrix_fwrite: ma failed', nrow, MA_ERR) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling grad1_so.F... Compiling diis_driver_so.F... vectors_so.F:676:72: 676 | end | ^ Warning: '__result_movecs_converged_so' may be used uninitialized [-Wmaybe-uninitialized] vectors_so.F:575:42: 575 | logical function movecs_converged_so | ^ note: '__result_movecs_converged_so' was declared here vectors_so.F:917:72: 917 | end | ^ Warning: '__result_spinor_guess' may be used uninitialized [-Wmaybe-uninitialized] vectors_so.F:859:35: 859 | logical function spinor_guess(filename) | ^ note: '__result_spinor_guess' was declared here Compiling diis_bsolve_so.F... Compiling diis_bld12_so.F... Compiling diis_core_so.F... Compiling diis_hamwgt_so.F... Compiling diis_refvec_so.F... diis_refvec_so.F:29:43: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 29 | call ga_get(g_err(1),1,i-1,i,i,colre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:30:43: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 30 | call ga_get(g_err(1),i,i,1,i-1,rowre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:31:41: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 31 | call ga_get(g_err(2),1,i,i,i,colim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:32:43: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 32 | call ga_get(g_err(2),i,i,1,i-1,rowim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:42:41: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 42 | call ga_put(g_err(1),1,i,i,i,colre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:43:43: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 43 | call ga_put(g_err(1),i,i,1,i-1,rowre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:44:41: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 44 | call ga_put(g_err(2),1,i,i,i,colim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:45:43: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 45 | call ga_put(g_err(2),i,i,1,i-1,rowim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling movecs_anal_so.F... movecs_anal_so.F:464:49: 462 | call ga_dgemm('n','n',nbf,nmo,nbf,1.0d0,g_tmp1,g_vecs, | 2 463 | $ 0.0d0,g_tmp2) 464 | call ga_dgemm('t','n',nmo,nmo,nbf,1.0d0,g_vecs,g_tmp2, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) movecs_anal_so.F:464:56: 462 | call ga_dgemm('n','n',nbf,nmo,nbf,1.0d0,g_tmp1,g_vecs, | 2 463 | $ 0.0d0,g_tmp2) 464 | call ga_dgemm('t','n',nmo,nmo,nbf,1.0d0,g_vecs,g_tmp2, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling getv_coul.F... Compiling getv_exch0.F... Compiling getv_exchX.F... Compiling getv_exchY.F... Compiling getv_exchZ.F... Compiling getv_dftxc.F... Compiling sym_mo_adapt_so.F... sym_mo_adapt_so.F:436:30: 435 | call ga_igop(msg_sym_1, nmixed, 1, '+') | 2 436 | call ga_igop(msg_sym_2, irs, nvec, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling sym_char_tab_so.F... sym_mo_adapt_so.F:343:18: 343 | if(i1 .eq. pair)i1 = i2 | ^ Warning: 'pair' may be used uninitialized [-Wmaybe-uninitialized] sym_mo_adapt_so.F:43:53: 43 | integer class, i, j, ioff, ir, ii, i1, i2, pair | ^ note: 'pair' was declared here sym_mo_adapt_so.F:349:72: 349 | irs(i) = i1 | ^ Warning: 'i2' may be used uninitialized [-Wmaybe-uninitialized] sym_mo_adapt_so.F:43:47: 43 | integer class, i, j, ioff, ir, ii, i1, i2, pair | ^ note: 'i2' was declared here Compiling scf_sym_adap_so.F... Compiling sym_mo_ap_op_so.F... Compiling sym_op_clsfy_so.F... Compiling ga_orth_mos_so.F... Compiling ga_orthog_so.F... Compiling sym_op_cname_so.F... Compiling grad_dens_so2.F... Compiling dft_scf_utils_so.F... Compiling dft_frac_mo_so.F... dft_frac_mo_so.F:59:9: 48 | loccup = rtdb_get(rtdb,'focc:occup',mt_int,2,nfocc_in) | 2 ...... 59 | & dbl_mb(k_occ)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling xc_exso.F... Compiling getv_coul_cd.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/so_dft' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a dft_scf_so.o dft_densmso.o dft_mxovlso.o grad_force_so.o dft_gradients_so.o vectors_so.o grad_dens_so.o grad1_so.o diis_driver_so.o diis_bsolve_so.o diis_bld12_so.o diis_core_so.o diis_hamwgt_so.o diis_refvec_so.o movecs_anal_so.o getv_coul.o getv_exch0.o getv_exchX.o getv_exchY.o getv_exchZ.o getv_dftxc.o sym_mo_adapt_so.o sym_char_tab_so.o scf_sym_adap_so.o sym_mo_ap_op_so.o sym_op_clsfy_so.o ga_orth_mos_so.o ga_orthog_so.o sym_op_cname_so.o grad_dens_so2.o dft_scf_utils_so.o dft_frac_mo_so.o xc_exso.o getv_coul_cd.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/so_dft' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/so_dft' Making all in coulomb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/coulomb' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/coulomb' Compiling dft_3cincor.F... Compiling dft_mem3c.F... dft_3cincor.F:91:26: 91 | integer size_atblock | ^ Warning: 'size_atblock' may be used uninitialized [-Wmaybe-uninitialized] Compiling dft_fitcd.F... dft_fitcd.F:93:33: 91 | call ycopy(nbf_cd*nfit, Tvec, 1, dbl_mb(iTvec), 1) | 2 92 | else 93 | call ycopy(nbf_cd*nfit, 0.D0, 0, Dbl_MB(iTvec), 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_fitcd.F:202:25: 91 | call ycopy(nbf_cd*nfit, Tvec, 1, dbl_mb(iTvec), 1) | 2 ...... 202 | call ycopy(nbf_cd,0.D0,0,dbl_mb(iTcgtf),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dft_fitvc.F... Compiling dft_genspm.F... Compiling dft_get2eri.F... Compiling dft_getspm.F... Compiling dft_getvc.F... Compiling dft_n3c.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/coulomb' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/coulomb' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a dft_3cincor.o dft_mem3c.o dft_fitcd.o dft_fitvc.o dft_genspm.o dft_get2eri.o dft_getspm.o dft_getvc.o dft_n3c.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/coulomb' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/coulomb' Making all in xc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/xc' Compiling xc_getv.F... Compiling xc_getvxc.F... Compiling xc_exact_pot.F... Compiling xc_sicutil.F... Compiling chk_dens.F... Compiling xc_util.F... xc_util.F:368:55: 363 | xc_getxcfac=rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, | 2 ...... 368 | if(.not.rtdb_get(rtdb, 'dft:libxcon', mt_log, 1, dolibxc)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). xc_util.F:463:54: 455 | if (.not.rtdb_put(rtdb,'dft:cam_exch', mt_log, 1, cam_exch)) | 2 ...... 463 | if (.not.rtdb_put(rtdb,'dft:cam_omega',mt_dbl,1,cam_omega)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling xc_chkdispauto.F... Compiling xc_vdw_init.F... Compiling 2ndDerivB97.c... 2ndDerivB97.c: In function 'dft_xckernel_cb97_': 2ndDerivB97.c:499:21: warning: variable 'Gec_b0' set but not used [-Wunused-but-set-variable] 499 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ 2ndDerivB97.c:499:10: warning: variable 'Gec_a0' set but not used [-Wunused-but-set-variable] 499 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/xc' 2ndDerivB97.c:593:13: warning: 'Gec_b0_rb' may be used uninitialized [-Wmaybe-uninitialized] 593 | Gec_ab_rb = Gec_ab_rb - Gec_b0_rb; | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~ 2ndDerivB97.c:501:10: note: 'Gec_b0_rb' was declared here 501 | double Gec_b0_rb,Gec_b0_rbrb; | ^~~~~~~~~ 2ndDerivB97.c:592:13: warning: 'Gec_a0_ra' may be used uninitialized [-Wmaybe-uninitialized] 592 | Gec_ab_ra = Gec_ab_ra - Gec_a0_ra; | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~ 2ndDerivB97.c:500:10: note: 'Gec_a0_ra' was declared here 500 | double Gec_a0_ra,Gec_a0_rara; | ^~~~~~~~~ Compiling xc_eval_basis.F... xc_eval_basis.F:2530:20: 1031 | call ycopy(nq, drad, 1, chi, 1) | 2 ...... 2530 | call ycopy(nq,0d0,0,crad,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling a_dist.F... Compiling eumac.F... Compiling qdist.F... Compiling scat_mat.F... Compiling setACmat.F... Compiling xc_becke88.F... Compiling xc_dirac.F... Compiling xc_bnl.F... Compiling xc_dirac_screened.F... Compiling xc_fitv.F... Compiling xc_hfexch.F... Compiling xc_lebedev.F... Compiling xc_lyp88.F... Compiling xc_perdew86.F... Compiling xc_perdew91.F... Compiling xc_pw91lda.F... Compiling xc_pw91ldag.F... Compiling xc_rhogen.F... Compiling xc_tabcd.F... Compiling xc_vwn_1.F... Compiling xc_vwn_1_rpa.F... Compiling xc_vwn_2.F... Compiling xc_vwn_3.F... Compiling xc_vwn_4.F... Compiling xc_vwn_5.F... Compiling xc_eval_fnl.F... xc_eval_fnl.F:2046:29: 2046 | & 0d0, .false., 0d0, | 1 Warning: Rank mismatch in argument 'laprho' at (1) (rank-1 and scalar) xc_eval_fnl.F:2046:43: 2046 | & 0d0, .false., 0d0, | 1 Warning: Rank mismatch in argument 'lmat' at (1) (rank-1 and scalar) Compiling xc_fd.F... Compiling xc_pbe96.F... Compiling xc_hcth.F... xc_pbe96.F:30:26: 30 | double precision fac, facl | ^ Warning: 'fac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:934:13: 934 | if (id_cpbe.eq.3) then | ^ Warning: 'id_cpbe' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:24:31: 24 | integer ipol, nq, id_cpbe | ^ note: 'id_cpbe' was declared here xc_pbe96.F:374:36: 374 | if (abs(cfac(6)).gt.EPS.or.lfac) then | ^ Warning: 'lfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:18: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'lfac' was declared here xc_pbe96.F:1423:13: 1423 | if (nlfac) then | ^ Warning: 'nlfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:25: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here Compiling xc_xpbe96.F... xc_pbe96.F:30:26: 30 | double precision fac, facl | ^ Warning: 'fac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:934:13: 934 | if (id_cpbe.eq.3) then | ^ Warning: 'id_cpbe' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:24:31: 24 | integer ipol, nq, id_cpbe | ^ note: 'id_cpbe' was declared here xc_pbe96.F:374:36: 374 | if (abs(cfac(6)).gt.EPS.or.lfac) then | ^ Warning: 'lfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:18: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'lfac' was declared here xc_pbe96.F:1423:13: 1423 | if (nlfac) then | ^ Warning: 'nlfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:25: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here Compiling xc_xpw91.F... Compiling xc_tarad.F... xc_pbe96.F:30:26: 30 | double precision fac, facl | ^ Warning: 'fac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:934:13: 934 | if (id_cpbe.eq.3) then | ^ Warning: 'id_cpbe' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:24:31: 24 | integer ipol, nq, id_cpbe | ^ note: 'id_cpbe' was declared here xc_pbe96.F:374:36: 374 | if (abs(cfac(6)).gt.EPS.or.lfac) then | ^ Warning: 'lfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:18: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'lfac' was declared here xc_pbe96.F:1423:13: 1423 | if (nlfac) then | ^ Warning: 'nlfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:25: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here xc_pbe96.F:1102:72: 1102 | & /(fAtden3)*dfAtdendA | ^ Warning: 'dfatnumda' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:107:51: 107 | double precision fAtnum, dfAtnumdt, dfAtnumdA | ^ note: 'dfatnumda' was declared here xc_pbe96.F:1102:72: 1102 | & /(fAtden3)*dfAtdendA | ^ Warning: 'dfatnumdt' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:107:40: 107 | double precision fAtnum, dfAtnumdt, dfAtnumdA | ^ note: 'dfatnumdt' was declared here xc_pbe96.F:1085:72: 1085 | fAtden3 = fAtden2*fAtden | ^ Warning: 'fatden2' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:124:30: 124 | double precision fAtden2 | ^ note: 'fatden2' was declared here xc_pbe96.F:1169:72: 1169 | D + d3fAtnumdt2dA/fAtden | ^ Warning: 'd2fatnumdt2' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:137:34: 137 | double precision d2fAtnumdt2, d2fAtnumdtdA, d2fAtnumdA2 | ^ note: 'd2fatnumdt2' was declared here xc_pbe96.F:1181:72: 1181 | B (fAtden4) | ^ Warning: 'd2fatnumdtda' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:137:48: 137 | double precision d2fAtnumdt2, d2fAtnumdtdA, d2fAtnumdA2 | ^ note: 'd2fatnumdtda' was declared here Compiling xc_murakn.F... Compiling xc_mitani.F... Compiling xc_mitani_dmr.F... Compiling xc_signf.F... Compiling xc_gill96.F... Compiling xc_xmpw91.F... Compiling xc_xpkzb99.F... Compiling xc_cpkzb99.F... Compiling xc_cMpbe96.F... Compiling xc_xtpss03.F... Compiling xc_ctpss03.F... Compiling xc_oep.F... Compiling xc_sic_pert.F... Compiling xc_sic.F... Compiling localize_sic.F... Compiling xc_optx.F... Compiling xc_optc.F... Compiling xc_atomblock.F... Compiling xc_replicated.F... Compiling xc_ft97.F... Compiling xc_lb94.F... Compiling xc_cs00.F... Compiling xc_op.F... Compiling xc_kop.F... Compiling xc_bc95.F... Compiling xc_xm05.F... xc_xm05.F:53:26: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ Warning: 'at1' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:54:31: 54 | double precision at, at10, at11, C1, C2, fL, fNL | ^ Warning: 'at10' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:54:37: 54 | double precision at, at10, at11, C1, C2, fL, fNL | ^ Warning: 'at11' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at2' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:31: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at2' was declared here xc_xm05.F:53:36: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ Warning: 'at3' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:41: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ Warning: 'at4' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:46: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ Warning: 'at5' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:51: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ Warning: 'at6' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:56: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ Warning: 'at7' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:61: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ Warning: 'at8' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:66: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ Warning: 'at9' may be used uninitialized [-Wmaybe-uninitialized] Compiling xc_cm05.F... Compiling xc_xpw6.F... xc_cm05.F:350:72: 350 | dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) | ^ Warning: 'sss1' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:36: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss1' was declared here xc_cm05.F:350:72: 350 | dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) | ^ Warning: 'sss2' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:42: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss2' was declared here xc_cm05.F:350:72: 350 | dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) | ^ Warning: 'sss3' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:48: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss3' was declared here xc_cm05.F:339:72: 339 | W = sss0+U*(sss1+U*(sss2+U*(sss3+U*sss4))) | ^ Warning: 'sss4' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:54: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss4' was declared here xc_cm05.F:220:72: 220 | W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) | ^ Warning: 'sopp1' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:41: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp1' was declared here xc_cm05.F:220:72: 220 | W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) | ^ Warning: 'sopp2' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:47: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp2' was declared here xc_cm05.F:220:72: 220 | W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) | ^ Warning: 'sopp3' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:54: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp3' was declared here xc_cm05.F:220:72: 220 | W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) | ^ Warning: 'sopp4' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:61: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp4' was declared here Compiling xc_xvs98.F... Compiling xc_cvs98.F... Compiling xc_xm06.F... Compiling xc_cm06.F... Compiling xc_spbe96.F... Compiling xc_kt1.F... Compiling xc_ssbD_1.F... Compiling xc_s12x.F... Compiling xc_cams12x.F... Compiling xc_camb88.F... Compiling xc_att_xc.F... Compiling xc_camxpbe96.F... Compiling xc_camxlsd.F... Compiling xc_xwpbe.F... Compiling hse08fx.F... Compiling xc_xsogga.F... xc_xsogga.F:56:27: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ Warning: 'cxa0' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:32: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ Warning: 'cxa1' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:37: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ Warning: 'cxa2' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:42: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ Warning: 'cxa3' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:47: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ Warning: 'cxa4' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:52: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ Warning: 'cxa5' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:32: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ Warning: 'cxb1' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:37: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ Warning: 'cxb2' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:42: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ Warning: 'cxb3' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:47: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ Warning: 'cxb4' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:52: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ Warning: 'cxb5' may be used uninitialized [-Wmaybe-uninitialized] Compiling xc_xmvs15.F... Compiling xc_xm11.F... Compiling xc_xmn12.F... Compiling xc_xmn15.F... Compiling xc_csogga.F... xc_csogga.F:65:31: 65 | double precision CcA(0:5),CcB(0:5) | ^ Warning: 'cca[1]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: Warning: 'cca[2]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: Warning: 'cca[3]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: Warning: 'cca[4]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: Warning: 'cca[5]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: 65 | double precision CcA(0:5),CcB(0:5) | ^ Warning: 'ccb[1]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: Warning: 'ccb[2]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: Warning: 'ccb[3]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: Warning: 'ccb[4]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: Warning: 'ccb[5]' may be used uninitialized [-Wmaybe-uninitialized] Compiling xc_cm11.F... Compiling steric_energy.F... Compiling xc_3rd_deriv.F... Compiling xc_xpw86.F... Compiling xc_xb86b.F... Compiling xc_xdm.F... xc_xdm.F:29:56: 25 | & lxdm)) lxdm = 0 | 2 ...... 29 | if (.not. rtdb_get(rtdb,'dft:xdmsave', mt_log, 1, savedvml)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling ts_eval_fnl.F... Compiling ts_tf.F... Compiling ts_vw.F... Compiling xc_xn12.F... xc_xn12.F:196:11: 196 | CC00 = 1.00000D+00 | ^ Warning: 'cc00' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:197:11: 197 | CC01 = 5.07880D-01 | ^ Warning: 'cc01' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:198:11: 198 | CC02 = 1.68233D-01 | ^ Warning: 'cc02' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:199:11: 199 | CC03 = 1.28887D-01 | ^ Warning: 'cc03' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:200:11: 200 | CC10 = 8.60211D-02 | ^ Warning: 'cc10' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:201:11: 201 | CC11 = -1.71008D+01 | ^ Warning: 'cc11' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:202:11: 202 | CC12 = 6.50814D+01 | ^ Warning: 'cc12' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:203:11: 203 | CC13 = -7.01726D+01 | ^ Warning: 'cc13' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:204:11: 204 | CC20 = -3.90755D-01 | ^ Warning: 'cc20' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:205:11: 205 | CC21 = 5.13392D+01 | ^ Warning: 'cc21' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:206:11: 206 | CC22 = -1.66220D+02 | ^ Warning: 'cc22' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:207:11: 207 | CC23 = 1.42738D+02 | ^ Warning: 'cc23' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:208:11: 208 | CC30 = 4.03611D-01 | ^ Warning: 'cc30' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:209:11: 209 | CC31 = -3.44631D+01 | ^ Warning: 'cc31' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:210:11: 210 | CC32 = 7.61661D+01 | ^ Warning: 'cc32' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:211:11: 211 | CC33 = -2.41834D+00 | ^ Warning: 'cc33' may be used uninitialized [-Wmaybe-uninitialized] Compiling xc_xscan.F... xc_xscan.F:334:72: 334 | dFxda = G*(dHda + dFada*(rH0 - H) - Fa*dHda) | ^ Warning: 'dfada' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:154:28: 154 | double precision dFada | ^ note: 'dfada' was declared here xc_xscan.F:145:42: 145 | double precision regalpha, dregalpha | ^ Warning: 'dregalpha' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:281:72: 281 | Fx = G*(H + Fa*(rH0 - H)) | ^ Warning: 'fa' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:149:29: 149 | double precision Fx, Fa | ^ note: 'fa' was declared here xc_xscan.F:232:72: 232 | oma = 1d0 - regalpha | ^ Warning: 'regalpha' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:145:31: 145 | double precision regalpha, dregalpha | ^ note: 'regalpha' was declared here xc_xscan.F:298:72: 298 | dadr = 5d0/3d0*(p - a)*tauU*rrho/(tauU +1d-4*facttwo**f53) | ^ Warning: 'a' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:135:32: 135 | double precision p, p14, a, g2 | ^ note: 'a' was declared here xc_xscan.F:323:72: 323 | dFada = -(rC1*exp4 + rD*exp5*rC2)/oma2 | ^ Warning: 'exp4' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:143:45: 143 | double precision exp1, exp2, exp3, exp4, exp5 | ^ note: 'exp4' was declared here xc_xscan.F:329:72: 329 | dFada = -rD*exp5*rC2/oma2*dregalpha | ^ Warning: 'exp5' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:143:51: 143 | double precision exp1, exp2, exp3, exp4, exp5 | ^ note: 'exp5' was declared here xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ Warning: 'rtemp[1]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[2]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[2]' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[3]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[3]' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[4]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[4]' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[5]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[5]' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[6]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[6]' was declared here xc_xscan.F:337:72: 337 | dFxdg = dFxda*dadg + dFxdp*dpdg | ^ Warning: 'dadg' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:159:32: 159 | double precision dadp,dadg,dadt,dadr | ^ note: 'dadg' was declared here xc_xscan.F:159:42: 159 | double precision dadp,dadg,dadt,dadr | ^ Warning: 'dadr' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:159:37: 159 | double precision dadp,dadg,dadt,dadr | ^ Warning: 'dadt' may be used uninitialized [-Wmaybe-uninitialized] Compiling xc_cscan.F... xc_cscan.F:115:33: 115 | double precision fca,dfcada,dfcadg,dfcadzeta,dfcadn | ^ Warning: 'dfcada' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:341:72: 341 | & fca*(dEc0dg-dEc1dg) + dfcadg*(Ec0-Ec1)) | ^ Warning: 'fca' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:115:26: 115 | double precision fca,dfcada,dfcadg,dfcadzeta,dfcadn | ^ note: 'fca' was declared here xc_cscan.F:278:72: 278 | oma = 1d0 - regalpha | ^ Warning: 'regalpha' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:135:31: 135 | double precision regalpha, dregalpha | ^ note: 'regalpha' was declared here xc_cscan.F:323:72: 323 | dalphadn = 5d0/3d0*(p/ds-alpha)*tueg/((tueg+1d-4*ds)*ntot) | ^ Warning: 'alpha' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:113:28: 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'alpha' was declared here xc_cscan.F:341:72: 341 | & fca*(dEc0dg-dEc1dg) + dfcadg*(Ec0-Ec1)) | ^ Warning: 'dalphadg' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:113:58: 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'dalphadg' was declared here xc_cscan.F:332:72: 332 | & ntot*(dEc1dn + fca*(dEc0dn-dEc1dn) + dfcadn*(Ec0-Ec1)) | ^ Warning: 'dalphadn' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:113:49: 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'dalphadn' was declared here xc_cscan.F:346:72: 346 | & ntot*dfcada*dalphadt*(Ec0-Ec1) | ^ Warning: 'dalphadt' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:113:67: 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'dalphadt' was declared here Compiling xc_xscanl.F... Compiling xc_cscanl.F... xc_cscanl.F:359:72: 359 | & dfcadt*(Ec0-Ec1)*dtdgb) | ^ Warning: 'dtdgb' may be used uninitialized [-Wmaybe-uninitialized] xc_cscanl.F:112:49: 112 | double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn | ^ note: 'dtdgb' was declared here xc_cscanl.F:361:72: 361 | Lmat(n,2) = Lmat(n,2) + ntot*dfcadt*dtdlb*(Ec0-Ec1) | ^ Warning: 'dtdlb' may be used uninitialized [-Wmaybe-uninitialized] xc_cscanl.F:112:63: 112 | double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn | ^ note: 'dtdlb' was declared here xc_cscanl.F:112:35: 112 | double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn | ^ Warning: 'dtdnb' may be used uninitialized [-Wmaybe-uninitialized] Compiling ts_pc.F... Compiling xc_xncap.F... Compiling xc_xr2scan.F... Compiling xc_xr2scanl.F... xc_vdw_init.F:206:34: 206 | subroutine init_c6_params_d3 | ^ note: variable tracking size limit exceeded with '-fvar-tracking-assignments', retrying without Compiling xc_cr2scan.F... Compiling xc_cr2scanl.F... Compiling xc_hcth_extra.F... Compiling xc_rhogen_adft.F... Compiling xc_tabcd_adft.F... Compiling xc_vdw_main.F... xc_vdw_main.F:516:53: 479 | if (.not.rtdb_get(rtdb,'dft:ivdw',MT_INT,1,ivdw)) | 2 ...... 516 | if (.not.rtdb_get(rtdb,'dft:vdwalpha',MT_DBL,1,alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling xc_vdw_util.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/xc' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/xc' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a xc_getv.o xc_getvxc.o xc_exact_pot.o xc_sicutil.o chk_dens.o xc_util.o xc_chkdispauto.o xc_vdw_init.o 2ndDerivB97.o xc_eval_basis.o a_dist.o eumac.o qdist.o scat_mat.o setACmat.o xc_becke88.o xc_dirac.o xc_bnl.o xc_dirac_screened.o xc_fitv.o xc_hfexch.o xc_lebedev.o xc_lyp88.o xc_perdew86.o xc_perdew91.o xc_pw91lda.o xc_pw91ldag.o xc_rhogen.o xc_tabcd.o xc_vwn_1.o xc_vwn_1_rpa.o xc_vwn_2.o xc_vwn_3.o xc_vwn_4.o xc_vwn_5.o xc_eval_fnl.o xc_fd.o xc_pbe96.o xc_hcth.o xc_xpbe96.o xc_xpw91.o xc_tarad.o xc_murakn.o xc_mitani.o xc_mitani_dmr.o xc_signf.o xc_gill96.o xc_xmpw91.o xc_xpkzb99.o xc_cpkzb99.o xc_cMpbe96.o xc_xtpss03.o xc_ctpss03.o xc_oep.o xc_sic_pert.o xc_sic.o localize_sic.o xc_optx.o xc_optc.o xc_atomblock.o xc_replicated.o xc_ft97.o xc_lb94.o xc_cs00.o xc_op.o xc_kop.o xc_bc95.o xc_xm05.o xc_cm05.o xc_xpw6.o xc_xvs98.o xc_cvs98.o xc_xm06.o xc_cm06.o xc_spbe96.o xc_kt1.o xc_ssbD_1.o xc_s12x.o xc_cams12x.o xc_camb88.o xc_att_xc.o xc_camxpbe96.o xc_camxlsd.o xc_xwpbe.o hse08fx.o xc_xsogga.o xc_xmvs15.o xc_xm11.o xc_xmn12.o xc_xmn15.o xc_csogga.o xc_cm11.o steric_energy.o xc_3rd_deriv.o xc_xpw86.o xc_xb86b.o xc_xdm.o ts_eval_fnl.o ts_tf.o ts_vw.o xc_xn12.o xc_xscan.o xc_cscan.o xc_xscanl.o xc_cscanl.o ts_pc.o xc_xncap.o xc_xncap.o xc_xr2scan.o xc_xr2scanl.o xc_cr2scan.o xc_cr2scanl.o xc_hcth_extra.o xc_rhogen_adft.o xc_tabcd_adft.o xc_vdw_main.o xc_vdw_util.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/xc' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/xc' Making all in util make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/util' Compiling ga_chol.F... Compiling ga_inverse.F... Compiling ga_chol_seq.F... Compiling ga_inv_seq.F... Compiling dft_invio.F... Compiling dft_print_mats.F... dft_print_mats.F:85:27: 62 | call ga_get(g_s, ibf, ibf, jbf, jbf, val, 1) | 2 ...... 85 | call ga_get(g_svecs, ibf, ibf, jbf, jbf, val, 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_save_mats.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/util' Compiling dft_gather.F... Compiling dft_header.F... Compiling dft_mpole.F... Compiling dft_scatter.F... Compiling dft_tstamp.F... Compiling dft_pstrace.F... Compiling get_col.F... Compiling movecs_log.F... Compiling nbf_to_mbf.F... Compiling dft_frozemb.F... Compiling dft_frozemb_fde.F... dft_frozemb_fde.F:238:20: 37 | if (rtdb_get(rtdb, 'dft:cam_exch', mt_log, 1, cam_exch)) then | 2 ...... 238 | & mt_dbl,1,tol2e_sleazy)) tol2e_sleazy = 1.d-4 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_frozemb_fde.F:360:41: 360 | call grid_quadv0_fde(rtdb, g_dens, g_electronic_fde, | 1 Warning: Rank mismatch in argument 'g_vxc' at (1) (rank-1 and scalar) dft_frozemb_fde.F:492:31: 202 | call dfill(nbf_fde, 0.0d0, dbl_mb(k_svals), 1) | 2 ...... 492 | call dfill(mbf_ao*mbf_ao,0,dbl_mb(k_fock_fde),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling int_1e_fde.F... Compiling sca_lab_mat.F... Compiling dft_utilmap.F... Compiling dft_genutils.F... dft_utilmap.F:125:72: 125 | A (get_lo(3).le.get_hi(3)) | ^ Warning: 'get_lo' may be used uninitialized [-Wmaybe-uninitialized] dft_utilmap.F:70:23: 70 | integer get_lo(3),get_hi(3) | ^ note: 'get_lo' declared here dft_utilmap.F:125:72: 125 | A (get_lo(3).le.get_hi(3)) | ^ Warning: 'get_hi' may be used uninitialized [-Wmaybe-uninitialized] dft_utilmap.F:70:33: 70 | integer get_lo(3),get_hi(3) | ^ note: 'get_hi' declared here dft_utilmap.F:125:72: 125 | A (get_lo(3).le.get_hi(3)) | ^ Warning: 'get_lo' may be used uninitialized [-Wmaybe-uninitialized] dft_utilmap.F:70:23: 70 | integer get_lo(3),get_hi(3) | ^ note: 'get_lo' declared here dft_utilmap.F:125:72: 125 | A (get_lo(3).le.get_hi(3)) | ^ Warning: 'get_hi' may be used uninitialized [-Wmaybe-uninitialized] dft_utilmap.F:70:33: 70 | integer get_lo(3),get_hi(3) | ^ note: 'get_hi' declared here dft_genutils.F:45:72: 45 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dft_genutils.F:125:28: 36 | call ga_check_handle (g_a, | 2 ...... 125 | call ga_check_handle (g_a, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_genutils.F:128:23: 39 | call ga_inquire (g_a, dtype, n1, n2) | 2 ...... 128 | call ga_inquire (g_a, dtype, n1, n2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_genutils.F:134:72: 134 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling dft_cholinv.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/util' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/util' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a ga_chol.o ga_inverse.o ga_chol_seq.o ga_inv_seq.o dft_invio.o dft_print_mats.o dft_save_mats.o dft_gather.o dft_header.o dft_mpole.o dft_scatter.o dft_tstamp.o dft_pstrace.o get_col.o movecs_log.o nbf_to_mbf.o dft_frozemb.o dft_frozemb_fde.o int_1e_fde.o sca_lab_mat.o dft_utilmap.o dft_genutils.o dft_cholinv.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/util' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/util' Making all in grid make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/grid' Compiling grid_sic.F... Compiling grid_checks.F... Compiling grid_balance.F... grid_checks.F:66:72: 66 | iangquad=iag_old | ^ Warning: 'iag_old' may be used uninitialized [-Wmaybe-uninitialized] grid_checks.F:31:42: 31 | , k_iscr,l_iscr,k_rq,l_rq,iag_old | ^ note: 'iag_old' was declared here Compiling grid_rtrunc.F... grid_rtrunc.F:110:36: 108 | call ga_dgop(msg_igop_tru3,range_max,1,'max') | 2 109 | if(llind) then 110 | call ga_dgop(msg_igop_tru1,exex,ntypes,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_rtrunc.F:112:36: 108 | call ga_dgop(msg_igop_tru3,range_max,1,'max') | 2 ...... 112 | call ga_dgop(msg_igop_tru4,shiftm,ntypes,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_rtrunc.F:116:33: 108 | call ga_dgop(msg_igop_tru3,range_max,1,'max') | 2 ...... 116 | call ga_dgop(msg_igop_tru6,minexp,ncenters,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling grid_atom_type_info.F... Compiling grid_setquad.F... Compiling grid_setrad.F... grid_setrad.F:121:58: 46 | & tol_reset)) tol_reset = .true. | 2 ...... 121 | if (.not. rtdb_get(rtdb,'dft:braggmult', mt_dbl, 1, braggmult)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling grid_setang.F... Compiling grid_invariant.F... grid_invariant.F:235:19: 151 | call ycopy(9,0d0,0,qrot, 1) | 2 ...... 235 | call ycopy(9,qrot,1,qin,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) grid_invariant.F:107:22: 107 | call ycopy(9,qrot,1,c,1) | 1 ...... 151 | call ycopy(9,0d0,0,qrot, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling grid_list.F... grid_list.F:143:25: 143 | if (r.lt.r1) then | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] grid_list.F:32:28: 32 | double precision r, r1, r2, r3, | ^ note: 'r1' was declared here grid_list.F:145:41: 145 | elseif (r.ge.r1.and.r.lt.r2) then | ^ Warning: 'r2' may be used uninitialized [-Wmaybe-uninitialized] grid_list.F:32:32: 32 | double precision r, r1, r2, r3, | ^ note: 'r2' was declared here grid_list.F:149:41: 149 | elseif (r.ge.r2.and.r.lt.r3) then | ^ Warning: 'r3' may be used uninitialized [-Wmaybe-uninitialized] grid_list.F:32:36: 32 | double precision r, r1, r2, r3, | ^ note: 'r3' was declared here grid_list.F:151:41: 151 | elseif (r.ge.r3.and.r.lt.r4) then | ^ Warning: 'r4' may be used uninitialized [-Wmaybe-uninitialized] grid_list.F:33:25: 33 | & r4, RR, q1 | ^ note: 'r4' was declared here Compiling grid_setspac_params.F... Compiling grid_acc_def.F... grid_acc_def.F:305:57: 286 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 305 | if (.not. rtdb_get(rtdb, 'dft:ngridin', mt_int, 1, ngridin)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). grid_acc_def.F:567:56: 389 | & job_grid_acc)) | 2 ...... 567 | if (.not. rtdb_put(rtdb, 'dft:mxnrad', mt_int, 1, mxnrad)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling grid_memory.F... Compiling grid_update_rtdb.F... grid_update_rtdb.F:33:66: 27 | if (.not. rtdb_put(rtdb, 'dft:nagrid', mt_int, 1, nagrid)) | 2 ...... 33 | if (.not. rtdb_put(rtdb,'dft:nrad', mt_int, dft_ntags_bsmx, nrad)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_update_rtdb.F:36:66: 27 | if (.not. rtdb_put(rtdb, 'dft:nagrid', mt_int, 1, nagrid)) | 2 ...... 36 | if (.not. rtdb_put(rtdb,'dft:nang', mt_int, dft_ntags_bsmx, nang)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling grid_tasks.F... Compiling grid_gen_pts.F... Compiling grid_setspac.F... Compiling grid_neighb.F... Compiling grid_cleanup.F... Compiling grid_gaussq.F... Compiling grid_finpts.F... Compiling grid_init.F... grid_init.F:83:22: 30 | if (.not. rtdb_get(rtdb, 'dft:mxnrad', mt_int, 1, mxnrad)) | 2 ...... 83 | $ MT_LOG, 1, dosympts)) dosympts=oskel | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling grid_loop.F... Compiling grid_xcfit.F... Compiling dftg_loop.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/grid' Compiling grid_pscreen.F... Compiling grid_sphere.F... Compiling grid_ssw.F... Compiling grid_sswold.F... grid_sswold.F:91:72: 91 | radwgh=(1.d0-ass)*sqrt(distnn)*0.5d0 | ^ Warning: 'ass' may be used uninitialized [-Wmaybe-uninitialized] grid_sswold.F:36:26: 36 | double precision ass,distnc,distnn,wsum | ^ note: 'ass' was declared here Compiling grid_beckew.F... Compiling grid_signf.F... Compiling grid_quadvw.F... Compiling grid_quadvw1.F... Compiling grid_bucket.F... Compiling grid_utils.F... Compiling grid_sympts.F... grid_sympts.F:146:17: 146 | , log10((abs(wsum-1d0))), UNKNOWN_ERR) | 1 ...... 193 | ' ' grid_c5trash: mpush get failed',1, MA_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling grid_qpts.F... Compiling grid_quadv0.F... grid_quadv0.F:463:72: 463 | & dbl_mb(irdens_atom), nbf_xc_mxnbf_ce) | 1 Warning: More actual than formal arguments in procedure call at (1) grid_quadv0.F:617:51: 210 | & pname//'could not open grid file',0,DISK_ERR) | 2 ...... 617 | & call errquit(pname//'failed duplicate',g_vxc, GA_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_quadv0.F:779:60: 197 | if (.not.rtdb_get(rtdb,'dft:largenode', mt_log, 1, largenode)) | 2 ...... 779 | if (.not. rtdb_get(rtdb, 'dft:iAOacc', mt_int, 1, iAOacc))then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). grid_quadv0.F:911:47: 210 | & pname//'could not open grid file',0,DISK_ERR) | 2 ...... 911 | & call errquit(pname//'failed destroy',g_fde, GA_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling grid_quadv0a.F... grid_quadv0a.F:237:34: 237 | call ga_dgop(Msg_Excrho, StericEnergyTotal , 1, '+') ! sum energy over all nodes | 1 ...... 274 | call ga_dgop(2015, q_becke , ncenters, '+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling grid_quadv0b.F... grid_quadv0a.F:243:9: 243 | if(oprint_qbecke) then | ^ Warning: 'oprint_qbecke' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0a.F:63:27: 63 | logical oprint_qbecke | ^ note: 'oprint_qbecke' was declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'irdens_atom_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:126:29: 126 | integer irdens_atom_fde, lrdens_atom_fde | ^ note: 'irdens_atom_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'icetobfr_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:125:26: 125 | integer icetobfr_fde, lcetobfr_fde | ^ note: 'icetobfr_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'iamat2_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:131:36: 131 | integer lAmat2_fde, iAmat2_fde | ^ note: 'iamat2_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'iamat3_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:132:36: 132 | integer lAmat3_fde, iAmat3_fde | ^ note: 'iamat3_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'icmat2_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:134:36: 134 | integer lCmat2_fde, iCmat2_fde | ^ note: 'icmat2_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'icmat3_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:135:36: 135 | integer lCmat3_fde, iCmat3_fde | ^ note: 'icmat3_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'ixyz_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:149:22: 149 | integer ixyz_fde, lxyz_fde | ^ note: 'ixyz_fde' declared here grid_quadv0b.F:302:11: 289 | & iniz, docset, bas_cent_info, bas_cset_info) | 2 ...... 302 | & bas_cent_info_fde, bas_cset_info_fde) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). grid_quadv0b.F:302:30: 289 | & iniz, docset, bas_cent_info, bas_cset_info) | 2 ...... 302 | & bas_cent_info_fde, bas_cset_info_fde) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). grid_quadv0b.F:745:28: 720 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 745 | & .false.,0d0,0d0,0d0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:770:48: 711 | & 0d0,0d0,0d0,0d0, | 2 ...... 770 | E Dbl_MB(iEmat), Dbl_MB(iFmat), qxyz,xyz, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) grid_quadv0b.F:770:53: 711 | & 0d0,0d0,0d0,0d0, | 2 ...... 770 | E Dbl_MB(iEmat), Dbl_MB(iFmat), qxyz,xyz, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) grid_quadv0b.F:778:29: 720 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 778 | & .false.,0d0,0d0, dbl_mb(k_scr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:806:29: 720 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 806 | & .false.,0d0,0d0,0d0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:830:26: 720 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 830 | & .false.,0d0,0d0,0d0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling grid_quadvc.F... grid_quadv0b.F:467:72: 467 | & ttau_fde, kske, do_xdm) | ^ Warning: 'ilap_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0b.F:92:32: 92 | integer llap_fde, ilap_fde | ^ note: 'ilap_fde' was declared here Compiling grid_file.F... Compiling grid_eaf.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/grid' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/grid' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a grid_sic.o grid_checks.o grid_balance.o grid_rtrunc.o grid_atom_type_info.o grid_setquad.o grid_setrad.o grid_setang.o grid_invariant.o grid_list.o grid_setspac_params.o grid_acc_def.o grid_memory.o grid_update_rtdb.o grid_tasks.o grid_gen_pts.o grid_setspac.o grid_neighb.o grid_cleanup.o grid_gaussq.o grid_finpts.o grid_init.o grid_loop.o grid_xcfit.o dftg_loop.o grid_pscreen.o grid_sphere.o grid_ssw.o grid_sswold.o grid_beckew.o grid_signf.o grid_quadvw.o grid_quadvw1.o grid_bucket.o grid_utils.o grid_sympts.o grid_qpts.o grid_quadv0.o grid_quadv0a.o grid_quadv0b.o grid_quadvc.o grid_file.o grid_eaf.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/grid' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/grid' Making all in dftgrad make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/dftgrad' Compiling dft_grad_top.F... Compiling dftg_getxc.F... dftg_getxc.F:218:72: 218 | tol_rho = tol_rho_scf | ^ Warning: 'tol_rho_scf' may be used uninitialized [-Wmaybe-uninitialized] dftg_getxc.F:50:34: 50 | double precision tol_rho_scf ! store scf tol_rho before hack | ^ note: 'tol_rho_scf' was declared here Compiling dft_gradients.F... dft_gradients.F:544:52: 143 | if (.not.rtdb_get(rtdb,'dft:cgmin', mt_log, 1, cgmin)) | 2 ...... 544 | if (.not.rtdb_get(rtdb, 'dft:xdm', mt_int, 1, xdmdisp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dft_gradients.F:571:22: 550 | if (.not. rtdb_put(rtdb,'dft:xdmsave', mt_log, 1, .false.)) | 2 ...... 571 | $ lforce, dbl_mb(k_force))) call errquit | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_gradients.F:616:34: 614 | call intdd_init(rtdb,2,nmo) | 2 615 | else 616 | call intdd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_gradients.F:657:33: 655 | call intd_init(rtdb,2,nmo) | 2 656 | else 657 | call intd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling grad_dft.F... Compiling dftg_getcden.F... Compiling dftg_getxden.F... Compiling dftg_gridpart.F... Compiling dftg_gridv0a.F... dftg_gridv0a.F:147:56: 144 | if (.not. rtdb_get(rtdb, 'dft:lcdft', mt_log, 1, lcdft)) | 2 ...... 147 | if (.not. rtdb_get(rtdb, 'dft:ipop', mt_int, 1, ipop)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dftg_gridv0a.F:162:72: 162 | & call errquit('dft_gridv0a: get multipliers failed', 0) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling dftg_gridv0.F... dftg_gridv0.F:195:9: 177 | if (.not. rtdb_get(rtdb, 'dft:grad_nq', mt_int, 1, nqstep)) | 2 ...... 195 | & ldew))ldew=.true. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dftg_gridv0.F:33:28: 33 | . iga_dens, force, 0d0, 0, 1, natoms, | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-2 and scalar) dftg_gridv0.F:33:33: 33 | . iga_dens, force, 0d0, 0, 1, natoms, | 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-1 and scalar) Compiling dftg_gridv0b.F... dftg_gridv0b.F:332:22: 294 | & natoms, 1,1,1, | 2 ...... 332 | N natoms, curatoms, ncuratoms, 1, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dftg_gridv0b.F:574:14: 549 | & 0d0,0,3*ncuratoms, | 2 ...... 574 | & curatoms, ncuratoms, 1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dftg_griddo.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/dftgrad' Compiling dftg_cdfit.F... dftg_cdfit.F:31:43: 31 | & iga_dens, force, 0d0, 0, 0d0, | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-4 and scalar) dftg_cdfit.F:31:48: 31 | & iga_dens, force, 0d0, 0, 0d0, | 1 Warning: Rank mismatch in argument 'g_dj' at (1) (rank-2 and scalar) dftg_cdfit.F:31:51: 31 | & iga_dens, force, 0d0, 0, 0d0, | 1 Warning: Rank mismatch in argument 'db' at (1) (rank-3 and scalar) Compiling dftg_quadv0b.F... Compiling dftg_grad2.F... dftg_grad2.F:35:45: 35 | call dftg_grad2_gen(d_ija, d_kla, frc, hess, g_dj, g_dens, | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-4 and scalar) dftg_grad2.F:35:51: 35 | call dftg_grad2_gen(d_ija, d_kla, frc, hess, g_dj, g_dens, | 1 Warning: Rank mismatch in argument 'g_dj' at (1) (rank-2 and scalar) Compiling dint_block_j.F... Compiling j_nucder_gen.F... j_nucder_gen.F:21:55: 21 | call j_deriv_gen(g_dens, oactive, nactive, hess, 0, 2) | 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-2 and scalar) j_nucder_gen.F:38:49: 38 | call j_deriv_gen(g_dens, oactive, nactive, 0d0, g_rhs, 3) | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-1 and scalar) Compiling dftg_beckew.F... Compiling dftg_wderiv.F... Compiling dftg_gridssw.F... dftg_gridssw.F:163:34: 163 | double precision mu,mu1,dmu1,dmu2,dmu3,dmu1dmu | ^ Warning: 'dmu1' may be used uninitialized [-Wmaybe-uninitialized] dftg_gridssw.F:163:39: 163 | double precision mu,mu1,dmu1,dmu2,dmu3,dmu1dmu | ^ Warning: 'dmu2' may be used uninitialized [-Wmaybe-uninitialized] dftg_gridssw.F:291:72: 291 | dbmuba(3) = -(zi/rq(n,B) + mu*dmu3)*Rij(ij) | ^ Warning: 'dmu3' may be used uninitialized [-Wmaybe-uninitialized] dftg_gridssw.F:163:44: 163 | double precision mu,mu1,dmu1,dmu2,dmu3,dmu1dmu | ^ note: 'dmu3' was declared here Compiling dftg_gridsswold.F... Compiling dftg_signf.F... Compiling dftg_quadv0b_adft.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/dftgrad' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/dftgrad' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a dft_grad_top.o dftg_getxc.o dft_gradients.o grad_dft.o dftg_getcden.o dftg_getxden.o dftg_gridpart.o dftg_gridv0a.o dftg_gridv0.o dftg_gridv0b.o dftg_griddo.o dftg_cdfit.o dftg_quadv0b.o dftg_grad2.o dint_block_j.o j_nucder_gen.o dftg_beckew.o dftg_wderiv.o dftg_gridssw.o dftg_gridsswold.o dftg_signf.o dftg_quadv0b_adft.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/dftgrad' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/dftgrad' Making all in lr_tddft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/lr_tddft' Compiling tddft_energy.F... tddft_energy.F:163:54: 135 | if (.not. rtdb_get(rtdb, 'dft:rodft', mt_log, 1, rodft)) | 2 ...... 163 | if (.not.rtdb_get(rtdb,'tddft:ipolar',mt_int,1,ipolar)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_energy.F:308:56: 210 | if (.not. rtdb_put(rtdb,'cosmo_phase',mt_int,1,cosmo_phase)) | 2 ...... 308 | if (.not.rtdb_put(rtdb,'bgj:xc_active',mt_log,1,.true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling tddft_input.F... tddft_input.F:105:53: 99 | if (.not.rtdb_put(rtdb,'tddft:tda',mt_log,1,tda)) | 2 ...... 105 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_input.F:414:56: 170 | if (.not.rtdb_get(rtdb,'tddft:singlet',mt_log,1,singlet)) | 2 ...... 414 | if (.not.rtdb_get(rtdb,'tddft:owstart',mt_int,2,owstart)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_init.F... tddft_init.F:151:55: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 151 | if (.not.rtdb_get(rtdb,'dft:cam_omega',mt_dbl,1,cam_omega)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). tddft_init.F:200:56: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 200 | if (.not.rtdb_get(rtdb,'dft:lxfac',mt_log,numfunc,lxfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:202:57: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 202 | if (.not.rtdb_get(rtdb,'dft:nlxfac',mt_log,numfunc,nlxfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:204:56: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 204 | if (.not.rtdb_get(rtdb,'dft:lcfac',mt_log,numfunc,lcfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:206:57: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 206 | if (.not.rtdb_get(rtdb,'dft:nlcfac',mt_log,numfunc,nlcfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:208:57: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 208 | if (.not.rtdb_get(rtdb,'dft:xccomb',mt_log,numfunc,xccomb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:248:52: 238 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 2 ...... 248 | if (.not.rtdb_put(rtdb,'tddft:tda',mt_log,1,tda)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tddft_init.F:380:57: 238 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 2 ...... 380 | if (.not.rtdb_put(rtdb,'tddft:owstart',mt_int,2,owstart)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:382:55: 238 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 2 ...... 382 | if (.not.rtdb_put(rtdb,'tddft:owend',mt_int,2,owend)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_memory.F... Compiling tddft_iguess.F... tddft_iguess.F:172:64: 168 | status = rtdb_get(rtdb,'tddft:lsimpleso',mt_log,1,lsimpleso) | 2 ...... 172 | if(.not.rtdb_get(rtdb,'simpleso:evlso',mt_dbl,2*nbf_ao,evlso)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling tddft_dump.F... Compiling tddft_davidson.F... tddft_davidson.F:262:51: 254 | if (.not.rtdb_get(rtdb,'tddft:check',mt_log,1,lcheck)) | 2 ...... 262 | if (.not.rtdb_get(rtdb,'tddft:ecut',mt_dbl,1,ecut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling tddft_transfm.F... Compiling tddft_contract.F... Compiling tddft_epsilon.F... Compiling tddft_subspace.F... Compiling tddft_diagon.F... Compiling tddft_residual.F... Compiling tddft_analysis.F... tddft_analysis.F:240:46: 215 | if (.not.rtdb_get(rtdb,'tddft:do_s2',mt_log,1,do_s2)) | 2 ...... 240 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_analysis.F:1755:53: 1438 | + 1,osc_str)) then | 2 ...... 1755 | if (.not.rtdb_put(rtdb,'tddft:energy',mt_dbl,1,energy)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_analysis.F:1774:40: 1438 | + 1,osc_str)) then | 2 ...... 1774 | $ 'tddft:wgsrf_cosmo_vem',mt_dbl,1,wgsrf_cosmo_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_analysis.F:1782:40: 1438 | + 1,osc_str)) then | 2 ...... 1782 | $ 'tddft:wstar_cosmo_vem',mt_dbl,1,wstar_cosmo_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tddft_dftinit.F... Compiling tddft_finalize.F... tddft_analysis.F:1118:20: 1118 | if (lvelok) then | ^ Warning: 'lvelok' may be used uninitialized [-Wmaybe-uninitialized] tddft_analysis.F:149:20: 149 | logical lvelok ! check for division by zero in vel. gauge | ^ note: 'lvelok' was declared here Compiling tddft_schmidt.F... Compiling tddft_fold.F... Compiling tddft_bdtensor.F... Compiling tddft_patch.F... Compiling tddft_civecs_phase.F... Compiling tddft_oscstr.F... Compiling tddft_checkpoint.F... Compiling tddft_restart.F... tddft_restart.F:94:42: 75 | call ga_brdcst(Msg_Vec_NBF+MSGINT, ios, inntsize, 0) | 2 ...... 94 | call ga_brdcst(Msg_Vec_stat+MSGINT, nov_verify, 2*inntsize, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_s2.F... Compiling tddft_simpleso.F... Compiling tddft_lanczos.F... tddft_lanczos.F:144:10: 142 | 1 xc_active_save)) xc_active_save=.false. | 2 143 | if (.not.rtdb_get(rtdb,'fock_xc:calc_type',mt_int,1, 144 | 1 calc_type_save)) calc_type_save=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_lanczos.F:148:60: 145 | if (.not.rtdb_put(rtdb,'bgj:xc_active',mt_log,1,.true.)) | 2 ...... 148 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_lanczos_tda.F... tddft_lanczos_tda.F:144:10: 142 | 1 xc_active_save)) xc_active_save=.false. | 2 143 | if (.not.rtdb_get(rtdb,'fock_xc:calc_type',mt_int,1, 144 | 1 calc_type_save)) calc_type_save=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_lanczos_tda.F:148:60: 145 | if (.not.rtdb_put(rtdb,'bgj:xc_active',mt_log,1,.true.)) | 2 ...... 148 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_dipole.F... Compiling tddft_prod_v.F... tddft_prod_v.F:161:51: 159 | if (.not.rtdb_get(rtdb,'tddft:lecut',mt_log,1,lecut)) | 2 160 | & lecut = .false. 161 | if (.not.rtdb_get(rtdb,'tddft:ecut',mt_dbl,1,ecut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling tddft_basis.F... tddft_basis.F:105:29: 61 | call int_init(rtdb, 1, cd_bas_han) | 2 ...... 105 | call int_init(rtdb,2,(/ao_bas_han,cd_bas_han/)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/lr_tddft' Compiling tddft_fock_fit.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/lr_tddft' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/lr_tddft' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a tddft_energy.o tddft_input.o tddft_init.o tddft_memory.o tddft_iguess.o tddft_dump.o tddft_davidson.o tddft_transfm.o tddft_contract.o tddft_epsilon.o tddft_subspace.o tddft_diagon.o tddft_residual.o tddft_analysis.o tddft_dftinit.o tddft_finalize.o tddft_schmidt.o tddft_fold.o tddft_bdtensor.o tddft_patch.o tddft_civecs_phase.o tddft_oscstr.o tddft_checkpoint.o tddft_restart.o tddft_s2.o tddft_simpleso.o tddft_lanczos.o tddft_lanczos_tda.o tddft_dipole.o tddft_prod_v.o tddft_basis.o tddft_fock_fit.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/lr_tddft' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/lr_tddft' Making all in lr_tddft_grad make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/lr_tddft_grad' Compiling tddft_gradient.F... tddft_gradient.F:154:55: 143 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 154 | if (rtdb_get(rtdb,'tddft_grad:debug', mt_log, 1, odebug)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tddft_gradient.F:475:61: 206 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 475 | if (.not. rtdb_put(rtdb,'dft:converged', mt_log, 1, .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tddft_gradient.F:486:49: 143 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 486 | if(rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_grad_init.F... tddft_grad_init.F:179:56: 175 | if (.not.rtdb_get(rtdb,'dft:xfac',mt_dbl,numfunc,xfac)) | 2 ...... 179 | if (.not.rtdb_get(rtdb,'dft:lxfac',mt_log,numfunc,lxfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). tddft_grad_init.F:201:53: 175 | if (.not.rtdb_get(rtdb,'dft:xfac',mt_dbl,numfunc,xfac)) | 2 ...... 201 | if (.not.rtdb_get(rtdb,'dft:delta_ac',mt_dbl,1,shift)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_grad_init.F:412:24: 175 | if (.not.rtdb_get(rtdb,'dft:xfac',mt_dbl,numfunc,xfac)) | 2 ...... 412 | + solve_thresh)) solve_thresh=1.0d-4 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tddft_grad_input.F... tddft_grad_input.F:45:19: 37 | & iroot)) call errquit(pname//'failed to write iroot',0,RTDB_ERR) | 2 ...... 45 | & 1,solve_thresh)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tddft_grad_finalize.F... Compiling tddft_grad_print_info.F... Compiling tddft_grad_ints.F... Compiling tddft_grad_print_header.F... Compiling tddft_grad_e.F... Compiling tddft_grad_root_e.F... Compiling tddft_grad_mo.F... Compiling tddft_grad_xy.F... Compiling tddft_grad_load_mo.F... Compiling tddft_grad_load_xy.F... Compiling tddft_grad_tp.F... Compiling tddft_grad_compute_t.F... Compiling tddft_grad_r.F... Compiling tddft_grad_compute_r.F... tddft_grad_compute_r.F:644:60: 182 | if (.not.rtdb_put(rtdb,'fock_xc:triplet',mt_log,1,.false.)) | 2 ...... 644 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,5)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_grad_trans_mo2ao.F... tddft_grad_trans_mo2ao.F:196:72: 196 | ahi(1) = ir | ^ Warning: 'iroot' may be used uninitialized [-Wmaybe-uninitialized] tddft_grad_trans_mo2ao.F:98:19: 98 | integer iroot ! the first root to be transformed | ^ note: 'iroot' was declared here Compiling tddft_grad_trans_ao2mo.F... tddft_grad_trans_ao2mo.F:199:72: 199 | blo(1) = (ip-1)*nroot+ir | ^ Warning: 'iroot' may be used uninitialized [-Wmaybe-uninitialized] tddft_grad_trans_ao2mo.F:98:19: 98 | integer iroot ! the first root to be transformed | ^ note: 'iroot' was declared here Compiling tddft_grad_mat_to_vec.F... Compiling tddft_grad_solve.F... Compiling tddft_grad_epsilon.F... Compiling tddft_grad_solve_product.F... tddft_grad_solve_product.F:125:19: 91 | call ga_zero(g_x_3d_ao) | 2 ...... 125 | call ga_zero(g_Ax_3d_mo) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_grad_solve_precond.F... Compiling tddft_grad_compute_p.F... Compiling tddft_grad_compute_w.F... tddft_grad_compute_w.F:565:60: 473 | if (.not.rtdb_put(rtdb,'fock_xc:triplet',mt_log,1,.false.)) | 2 ...... 565 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,5)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_grad_g.F... Compiling tddft_grad_compute_dao.F... Compiling tddft_grad_get_dens.F... Compiling tddft_grad_compute_g.F... tddft_grad_compute_g.F:823:42: 621 | call tddft_grad_print_array(ipol,1,g_d,dble(ipol)) | 2 ...... 823 | call tddft_grad_print_array(1,1,g_wp_ao,dble(ipol)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_grad_compute_g.F:850:39: 587 | & g_d, dum, dum, g_rhs_xc, calc_type, | 2 ...... 850 | & dbl_mb(k_frc_df0), dum, idum, calc_type, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_grad_compute_g.F:932:47: 587 | & g_d, dum, dum, g_rhs_xc, calc_type, | 2 ...... 932 | & g_dtmp, dbl_mb(k_frc_dft), dum, idum, calc_type, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tddft_grad_grad_1e.F... Compiling tddft_grad_grad_2e.F... Compiling tddft_grad_make_2pdm.F... Compiling tddft_grad_print_result.F... Compiling tddft_grad_print_array.F... Compiling tddft_grad_compute_energy.F... Compiling tddft_grad_anti_symmetrize.F... Compiling tddft_grad_gxc.F... Compiling tddft_grad_irreg_acc.F... tddft_grad_irreg_acc.F:149:72: 149 | ld(2) = lenk | ^ Warning: 'lenk' may be used uninitialized [-Wmaybe-uninitialized] tddft_grad_irreg_acc.F:63:18: 63 | integer lenk ! the number of consequetive functions in the | ^ note: 'lenk' was declared here Compiling tddft_grad_fxc_l.F... Compiling tddft_grad_fix_exc.F... Compiling tddft_grad_store_gradient.F... Compiling tddft_grad_util_print.F... Compiling tddft_grad_solve_load_x.F... tddft_grad_solve_load_x.F:121:28: 106 | call ga_brdcst(1001,x_exists,ma_sizeof(MT_LOG,1,MT_BYTE),0) | 2 ...... 121 | call ga_brdcst(1002,itpol,ma_sizeof(MT_INT,1,MT_BYTE),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_grad_solve_save_x.F... Compiling tddft_grad_dxcdmat.F... Compiling tddft_grad_dfxc.F... Compiling tddft_grad_quadv0b.F... Compiling tddft_grad_dvxc.F... Compiling tddft_grad_mpole.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/lr_tddft_grad' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a tddft_gradient.o tddft_grad_init.o tddft_grad_input.o tddft_grad_finalize.o tddft_grad_print_info.o tddft_grad_ints.o tddft_grad_print_header.o tddft_grad_e.o tddft_grad_root_e.o tddft_grad_mo.o tddft_grad_xy.o tddft_grad_load_mo.o tddft_grad_load_xy.o tddft_grad_tp.o tddft_grad_compute_t.o tddft_grad_r.o tddft_grad_compute_r.o tddft_grad_trans_mo2ao.o tddft_grad_trans_ao2mo.o tddft_grad_mat_to_vec.o tddft_grad_solve.o tddft_grad_epsilon.o tddft_grad_solve_product.o tddft_grad_solve_precond.o tddft_grad_compute_p.o tddft_grad_compute_w.o tddft_grad_g.o tddft_grad_compute_dao.o tddft_grad_get_dens.o tddft_grad_compute_g.o tddft_grad_grad_1e.o tddft_grad_grad_2e.o tddft_grad_make_2pdm.o tddft_grad_print_result.o tddft_grad_print_array.o tddft_grad_compute_energy.o tddft_grad_anti_symmetrize.o tddft_grad_gxc.o tddft_grad_irreg_acc.o tddft_grad_fxc_l.o tddft_grad_fix_exc.o tddft_grad_irreg_acc.o tddft_grad_store_gradient.o tddft_grad_util_print.o tddft_grad_solve_load_x.o tddft_grad_solve_save_x.o tddft_grad_dxcdmat.o tddft_grad_dfxc.o tddft_grad_quadv0b.o tddft_grad_dvxc.o tddft_grad_mpole.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/lr_tddft_grad' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/lr_tddft_grad' Making all in zora make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/zora' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/zora' Compiling dft_zora_utils.F... Compiling dft_zora_utils_so.F... dft_zora_utils.F:281:32: 67 | status=rtdb_get(rtdb,'prop:efgfile',mt_int,1,efgfile) ! for NLMO analysis | 2 ...... 281 | & mt_log,1,skip_csAOev)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_zora_utils.F:213:72: 213 | scale_MO=scf_dbl | ^ Warning: 'scf_dbl' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_utils.F:44:50: 44 | double precision eval_scal,ener_scal,scf_dbl | ^ note: 'scf_dbl' was declared here Compiling dft_zora_rhos.F... dft_zora_utils_so.F:284:29: 283 | call ga_dgop(20166102, evals, noc, '+') | 2 284 | call ga_dgop(20166103, ener_scal, 1, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dft_zora_rhos_so.F... Compiling gridNuclearPotential.F... dft_zora_rhos_so.F:746:15: 738 | if (.not.rtdb_get(rtdb,'cosmo:nefc',mt_int,1,nefc)) | 2 ...... 746 | & dbl_mb(k_efcc))) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_zora_rhos_so.F:851:49: 849 | call ecce_print1('EFG eigenvalues',MT_DBL,eig,3) | 2 850 | call ecce_print2('EFG eigenvectors',MT_DBL,vec,3,3,3) 851 | call ecce_print1('EFG asymmetry',MT_DBL,eta,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_zora_rhos.F:560:41: 560 | call ga_put(g_AtNr,1,1,ii,ii,AtNr_dbl,1) | 1 ...... 618 | call ga_put(g_munu_rhoS,1,1,jlo,jhi,v,1) ! v --> g_munu_rhoS | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_zora_rhos.F:564:38: 553 | $ 1,efgz4atoms)) | 2 ...... 564 | $ efgz4atoms,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_zora_rhos.F:570:41: 570 | call ga_put(g_AtNr,1,1,ii,ii,AtNr_dbl,1) | 1 ...... 618 | call ga_put(g_munu_rhoS,1,1,jlo,jhi,v,1) ! v --> g_munu_rhoS | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_zora_rhos.F:368:19: 368 | call ga_zero(g_orbi) | 1 ...... 492 | call ga_zero(g_densZ4(ispin)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(8)). dft_zora_rhos.F:369:18: 369 | call ga_put(g_orbi,1,nbf,iorb,iorb, | 1 ...... 618 | call ga_put(g_munu_rhoS,1,1,jlo,jhi,v,1) ! v --> g_munu_rhoS | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(8)). dft_zora_rhos.F:373:27: 317 | & g_orb,g_orb,0.d00,g_dens_sf) | 2 ...... 373 | & g_orbj,g_orbi,0.d00,g_dens_sf) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(8)). dft_zora_rhos.F:376:27: 376 | if (.not. ga_destroy(g_orbi)) call errquit( | 1 ...... 514 | if (.not. ga_destroy(g_dens_sf)) call errquit( | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(8)). Compiling gridHartreePotential.F... dft_zora_rhos.F:487:15: 487 | if (.not.ma_alloc_get(mt_dbl,ipol*noc1,'Ci',l_Ci,k_Ci)) | ^ Warning: 'ipol' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_rhos.F:453:24: 453 | integer ispin,ipol,iorb,porb,nbf | ^ note: 'ipol' declared here dft_zora_rhos.F:487:15: 487 | if (.not.ma_alloc_get(mt_dbl,ipol*noc1,'Ci',l_Ci,k_Ci)) | ^ Warning: 'noc1' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_rhos.F:458:18: 458 | integer noc1 ! Total # of occupied MOs | ^ note: 'noc1' declared here dft_zora_rhos_so.F:431:19: 431 | integer i_cbq | ^ Warning: 'i_cbq' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_rhos_so.F:432:19: 432 | integer i_qbq | ^ Warning: 'i_qbq' may be used uninitialized [-Wmaybe-uninitialized] Compiling gridQpqPotential.F... Compiling grid_moments.F... Compiling zora_getv_EFGZ4_SR.F... Compiling calc_zora_EFGZ4_SR.F... Compiling zora_getv_EFGZ4_SO.F... Compiling calc_zora_EFGZ4_SO.F... Compiling dft_zora_NMR.F... Compiling zora_getv_NMRCS_SR.F... dft_zora_NMR.F:1086:37: 265 | status=rtdb_get(rtdb,'prop:shldfile',mt_int,1,shldfile) ! for NLMO analysis | 2 ...... 1086 | $ giaoatoms,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_zora_NMR.F:66:32: 66 | & mt_log,1,do_prntNMRCS)) ! FA | 1 ...... 265 | status=rtdb_get(rtdb,'prop:shldfile',mt_int,1,shldfile) ! for NLMO analysis | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling calc_zora_NMRCS_SR.F... Compiling dft_zora_EPR.F... Compiling dft_zora_EPR-NMR_tools.F... dft_zora_EPR.F:47:32: 47 | & mt_log,1,do_prntNMRCS)) ! FA | 1 ...... 424 | status=rtdb_get(rtdb,'prop:gshiftfile',mt_int,1,gshiftfile) ! for NLMO analysis | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling zora_getv_EPR.F... dft_zora_EPR.F:376:72: 376 | factor=(-0.25d0)*coeffpol*ppt | ^ Warning: 'coeffpol' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_EPR.F:339:39: 339 | double precision toac(2),coeffpol,toscale | ^ note: 'coeffpol' was declared here Compiling calc_zora_EPR.F... Compiling dft_zora_Hyperfine.F... dft_zora_EPR-NMR_tools.F:1572:37: 294 | call ga_get(g_AtNr1,1,1,1,nlist,dbl_mb(k_AtNr),1) | 2 ...... 1572 | call ga_get(g_z1,1,n1,m1,m1,dcpl_mb(k_z),n1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). dft_zora_EPR-NMR_tools.F:1777:48: 530 | call ga_put(g_AtNr1,1,1,1,nlist,dbl_mb(k_AtNr),1) | 2 ...... 1777 | call ga_put(g_z1,idat,idat,ivec,ivec,val_cmplx,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling zora_getv_HFine.F... Compiling calc_zora_HFine.F... Compiling zora_getv_sf.F... dft_zora_Hyperfine.F:1515:38: 1504 | $ 1,hfineatoms)) | 2 ...... 1515 | $ hfineatoms,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_zora_Hyperfine.F:48:32: 48 | & mt_log,1,do_prntNMRCS)) ! FA | 1 ...... 1504 | $ 1,hfineatoms)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_zora_Hyperfine.F:814:72: 814 | & nexc) | ^ Warning: 'k_zetanuc' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_Hyperfine.F:782:33: 782 | integer l_zetanuc,k_zetanuc | ^ note: 'k_zetanuc' declared here zora_getv_sf.F:293:72: 293 | g_dens(1)=g_dens0(1) | ^ Warning: 'g_dens0[0]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_sf.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[0]' was declared here zora_getv_sf.F:294:72: 294 | if(ipol.eq.2) g_dens(2)=g_dens0(2) | ^ Warning: 'g_dens0[1]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_sf.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[1]' was declared here Compiling zora_getv_so.F... zora_getv_so.F:282:72: 282 | g_dens(1)=g_dens0(1) | ^ Warning: 'g_dens0[0]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_so.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[0]' was declared here zora_getv_so.F:283:72: 283 | if(ipol.eq.2) g_dens(2)=g_dens0(2) | ^ Warning: 'g_dens0[1]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_so.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[1]' was declared here Compiling calc_EFG.F... Compiling calc_zora_sf.F... Compiling calc_zora_so.F... Compiling calc_zora_facs.F... Compiling get_ints_zora.F... Compiling zora_recalc.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/zora' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/zora' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a dft_zora_utils.o dft_zora_utils_so.o dft_zora_rhos.o dft_zora_rhos_so.o gridNuclearPotential.o gridHartreePotential.o gridQpqPotential.o grid_moments.o zora_getv_EFGZ4_SR.o calc_zora_EFGZ4_SR.o zora_getv_EFGZ4_SO.o calc_zora_EFGZ4_SO.o dft_zora_NMR.o zora_getv_NMRCS_SR.o calc_zora_NMRCS_SR.o dft_zora_EPR.o dft_zora_EPR-NMR_tools.o zora_getv_EPR.o calc_zora_EPR.o dft_zora_Hyperfine.o zora_getv_HFine.o calc_zora_HFine.o zora_getv_sf.o zora_getv_so.o calc_EFG.o calc_zora_sf.o calc_zora_so.o calc_zora_facs.o get_ints_zora.o zora_recalc.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/zora' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/zora' Making all in spec make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/spec' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/spec' Compiling dft_vspec.F... dft_vspec.F:108:57: 75 | if (.not. rtdb_get(rtdb,'dft:write_vspec',mt_log,1,write_vspec)) | 2 ...... 108 | if (.not. rtdb_get(rtdb,'dft:nexcite_win',mt_int,1,nexcite_win)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dft_vspec_so.F... Compiling dft_xps.F... Compiling dft_polfromsos.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/spec' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/spec' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a dft_vspec.o dft_vspec_so.o dft_xps.o dft_polfromsos.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/spec' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/spec' Making all in rt_tddft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft' Compiling rt_tddft.F... rt_tddft.F:60:9: 56 | & cam_exch)) cam_exch=.false. | 2 ...... 60 | & cam_omega)) cam_omega=0.d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Making all in matutils make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/matutils' Compiling convert_d2z.F... Compiling convert_z2d.F... Compiling pack_buffer2ga.F... pack_buffer2ga.F:138:39: 60 | call ga_put (g_a, 1, n, i, i, dbl_mb(itmp), n) | 2 ...... 138 | call ga_put (g_a, 1, n, i, i, dcpl_mb(itmp), n) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pack_ga2buffer.F... pack_ga2buffer.F:133:39: 57 | call ga_get (g_a, 1, n, i, i, dbl_mb(itmp), n) | 2 ...... 133 | call ga_get (g_a, 1, n, i, i, dcpl_mb(itmp), n) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling matutils.F... Compiling dmat_io.F... matutils.F:458:72: 458 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:489:42: 473 | call ga_put (g_a, i,i,i,i, one, 1) | 2 ...... 489 | call ga_put (g_a, i,i,i,i, zone, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). matutils.F:499:72: 499 | call errquit (pname//"unsupported data type") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:399:72: 399 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:339:72: 339 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:66:72: 66 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:196:72: 196 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:542:72: 542 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:920:72: 920 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) dmat_io.F:52:72: 52 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dmat_io.F:154:72: 154 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_diag.F... zmat_diag.F:591:72: 591 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_diag.F:451:72: 451 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_diag.F:66:72: 66 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_diag.F:701:72: 701 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_inv.F... zmat_inv.F:240:72: 240 | $ call errquit (pname//"size of ainv must match size of a") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_inv.F:62:72: 62 | $ call errquit (pname//"size of ainv must match size of a") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_checksum.F... zmat_checksum.F:44:72: 44 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_spectral_range.F... zmat_spectral_range.F:55:72: 55 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_max_abs_elem.F... zmat_max_abs_elem.F:47:72: 47 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_compare.F... Compiling elem_compare.F... Compiling calc_array_partitioning.F... make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/matutils' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a convert_d2z.o convert_z2d.o pack_buffer2ga.o pack_ga2buffer.o matutils.o dmat_io.o zmat_diag.o zmat_inv.o zmat_checksum.o zmat_spectral_range.o zmat_max_abs_elem.o zmat_compare.o elem_compare.o calc_array_partitioning.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/matutils' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/matutils' Making all in rtutils make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/rtutils' Compiling rt_tddft_debug.F... Compiling rt_tddft_header.F... Compiling rt_tddft_output.F... Compiling rt_tddft_calc.F... rt_tddft_output.F:427:72: 427 | call rt_tddft_print_val (params, tt, params%Enuc, "Enuc") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:428:72: 428 | call rt_tddft_print_val (params, tt, energies%core, "Ecore") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:429:72: 429 | call rt_tddft_print_val (params, tt, energies%coul, "Ecoul") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:430:72: 430 | call rt_tddft_print_val (params, tt, energies%xc(1), "Exc(1)") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:431:72: 431 | call rt_tddft_print_val (params, tt, energies%xc(2), "Exc(2)") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:432:72: 432 | call rt_tddft_print_val (params, tt, energies%tot, "Etot") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:434:72: 434 | $ energies%tot - energies%gs, "Eadded") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:467:72: 467 | call rt_tddft_print_msg (params, tt, "No applied E-field") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:477:72: 477 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:477:72: 477 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'vec' at (1); passed TYPE(rt_vector_t) to TYPE(rt_vector_t) rt_tddft_output.F:483:72: 483 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:483:72: 483 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'vec' at (1); passed TYPE(rt_vector_t) to TYPE(rt_vector_t) rt_tddft_output.F:650:72: 650 | $ charge_tot, trim(outstr)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_movecs_gs.F... rt_tddft_calc.F:363:31: 171 | call rt_tddft_geom_mask (params, params%g_dip%x, ig, g_dip_maskd) | 2 ...... 363 | call rt_tddft_geom_mask (params, g_dscr1, ig, g_dscr2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (TYPE(rt_params_t)/TYPE(rt_params_t)). Compiling rt_tddft_movecs_import.F... rt_tddft_movecs_import.F:330:72: 330 | call rt_tddft_movecs_fname (params, rt_movecs_fname) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:363:72: 363 | $ mo_nsets, mo_ns_mo) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:386:72: 386 | $ dbl_mb(iocc), dbl_mb(ievals)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:576:72: 576 | call rt_tddft_movecs_fname (params, rt_movecs_fname) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:642:72: 642 | $ dbl_mb(iocc), dbl_mb(ievals)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:661:72: 661 | $ dbl_mb(iocc), dbl_mb(ievals)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_moocc.F... Compiling rt_tddft_atpoint.F... Compiling rt_tddft_snapshot.F... rt_tddft_snapshot.F:205:72: 205 | call rt_tddft_snapshot_fname (params, it, tt, fname_tail) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:276:20: 276 | itreference = rt_tddft_find_itreference (params) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:287:72: 287 | $ params%viz_treference, fname_tail) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:314:13: 314 | if (rt_tddft_at_snap (params, tt)) then | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:328:72: 328 | call rt_tddft_snapshot_fname (params, it, tt, fname_tail) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:332:72: 332 | $ fname_tail_cube) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_geom_mask.F... rt_tddft_geom_mask.F:46:72: 46 | $ call errquit (pname//"g_full must be dbl or dcpl",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:61:72: 61 | $ call errquit (pname//"g_maskd must be dbl or dcpl",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:69:72: 69 | $ 0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:73:72: 73 | $ 0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:81:72: 81 | $ call errquit (pname//"bad ig: ", ig, 0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:99:72: 99 | $ call errquit (pname//"failed to create fullre",0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:103:72: 103 | $ call errquit (pname//"failed to create fullim",0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:116:72: 116 | $ call errquit (pname//"failed to destroy fullre", 0,GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:119:72: 119 | $ call errquit (pname//"failed to destroy fullim", 0,GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:122:72: 122 | call errquit (pname//"bad data type for g_full",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling rt_tddft_estimate_rem.F... Compiling rt_tddft_vec_quad.F... Compiling rt_tddft_excite.F... Compiling rt_tddft_checkpoint.F... rt_tddft_excite.F:376:47: 376 | val = val * rt_tddft_hann_window (field, tt) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_excite.F:378:51: 378 | val = val * rt_tddft_gaussian_window (field, tt) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_excite.F:380:51: 380 | val = val * rt_tddft_sin2ramp_window (field, tt) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_excite.F:80:72: 80 | call rt_tddft_update_fields (params, tt) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_excite.F:94:33: 94 | call rt_tddft_vec_zero (params%geom(igeom)%vec(1)) !alpha | 1 ...... 412 | call rt_tddft_vec_zero (fvec) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (TYPE(rt_vector_t)/TYPE(rt_vector_t)). Compiling rt_tddft_zora_scale.F... Compiling rt_tddft_project.F... Compiling rt_tddft_zdens_tot_movecs.F... rt_tddft_project.F:221:72: 221 | call rt_tddft_project (params, "F", g_za, g_zb, g_zaproj, lherm) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_project.F:223:72: 223 | $ g_zaproj, g_zb, g_zaback, lherm) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_project.F:368:72: 368 | $ g_za, g_movecs_gs, g_zaproj) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_project.F:370:72: 370 | $ g_zaproj, g_movecs_gs, g_zaback) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_restart.F... rt_tddft_restart.F:240:29: 237 | call ga_brdcst(100001, it_in, msglen, 0) | 2 ...... 240 | call ga_brdcst(100002, tt_in, msglen, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). rt_tddft_restart.F:284:31: 101 | call rt_tddft_print_msg (params, tt, "Saved restart file") | 2 ...... 284 | call rt_tddft_print_msg (params, tt, "Loaded restart file") | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (TYPE(rt_params_t)/TYPE(rt_params_t)). Compiling rt_tddft_mocap.F... Compiling rt_tddft_calc_dip_contribs.F... rt_tddft_calc_dip_contribs.F:207:25: 183 | $ (1d0,0d0), params%g_zX, g_zCprime, (0d0,0d0), g_zCao) | 2 ...... 207 | $ g_zPgsint(1), 0d0, g_zPgsmo(1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling rt_tddft_spatialcap.F... Compiling rt_tddft_spatial_potential.F... Compiling rt_tddft_complex_evals.F... rt_tddft_spatial_potential.F:111:22: 107 | $ mt_dbl, 1, cap_gammamax)) call errquit (pname// | 2 ...... 111 | $ mt_int, 3, nq)) call errquit (pname// | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). rt_tddft_spatial_potential.F:115:22: 107 | $ mt_dbl, 1, cap_gammamax)) call errquit (pname// | 2 ...... 115 | $ mt_dbl, 3, qmin_au)) call errquit (pname// | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rt_tddft_spatial_potential.F:119:22: 107 | $ mt_dbl, 1, cap_gammamax)) call errquit (pname// | 2 ...... 119 | $ mt_dbl, 3, qmax_au)) call errquit (pname// | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rt_tddft_complex_evals.F:246:29: 242 | call ga_brdcst(100001, diff, msglen, 0) | 2 ...... 246 | call ga_brdcst(100002, imax, msglen, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/rtutils' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a rt_tddft_debug.o rt_tddft_header.o rt_tddft_output.o rt_tddft_calc.o rt_tddft_movecs_gs.o rt_tddft_movecs_import.o rt_tddft_moocc.o rt_tddft_atpoint.o rt_tddft_snapshot.o rt_tddft_geom_mask.o rt_tddft_estimate_rem.o rt_tddft_vec_quad.o rt_tddft_excite.o rt_tddft_checkpoint.o rt_tddft_zora_scale.o rt_tddft_project.o rt_tddft_zdens_tot_movecs.o rt_tddft_restart.o rt_tddft_mocap.o rt_tddft_calc_dip_contribs.o rt_tddft_spatialcap.o rt_tddft_spatial_potential.o rt_tddft_complex_evals.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/rtutils' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/rtutils' Making all in input make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/input' Compiling rt_tddft_input_put_defaults.F... rt_tddft_input_put_defaults.F:110:20: 63 | $ mt_log,1,.true.)) | 2 ...... 110 | $ mt_dbl,1,tol_zero)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling rt_tddft_input_field.F... rt_tddft_input_field.F:218:72: 218 | call rt_tddft_field_rtdb_get (rtdb, i, prev_field) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_input_field.F:467:72: 467 | call rt_tddft_field_rtdb_put (rtdb, nfields, this_field) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) Compiling rt_tddft_input_print.F... Compiling rt_tddft_input_excite.F... rt_tddft_input_excite.F:223:72: 223 | call rt_tddft_excite_rtdb_put (rtdb, nexcites, excite) | 1 Warning: Type mismatch in argument 'excite' at (1); passed TYPE(rt_excite_t) to TYPE(rt_excite_t) Compiling rt_tddft_input_tolerances.F... Compiling rt_tddft_input_visualization.F... rt_tddft_input_visualization.F:131:59: 119 | if (.not.rtdb_put(rtdb,'rt_tddft:viz_tstart',mt_dbl,1,tstart)) | 2 ...... 131 | if (.not.rtdb_put(rtdb,'rt_tddft:viz_subgs',mt_log,1,lsubgs)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling rt_tddft_input_mocap.F... rt_tddft_input_mocap.F:120:61: 103 | if (.not.rtdb_put(rtdb,'rt_tddft:mocap_maxval',mt_dbl,1,maxval)) | 2 ...... 120 | if (.not.rtdb_put(rtdb,'rt_tddft:mocap_print',mt_log,1,lprint)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling rt_tddft_input_spatialcap.F... rt_tddft_input_spatialcap.F:227:60: 165 | if (.not. rtdb_put (rtdb, trim(tag),mt_dbl,1,rstart)) | 2 ...... 227 | if (.not.rtdb_put(rtdb,'rt_tddft:cap_active',mt_log,1,lactive)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). rt_tddft_input_spatialcap.F:235:58: 165 | if (.not. rtdb_put (rtdb, trim(tag),mt_dbl,1,rstart)) | 2 ...... 235 | if (.not.rtdb_put(rtdb,'rt_tddft:cap_qmin',mt_dbl,3,qmin)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rt_tddft_input_spatialcap.F:239:58: 165 | if (.not. rtdb_put (rtdb, trim(tag),mt_dbl,1,rstart)) | 2 ...... 239 | if (.not.rtdb_put(rtdb,'rt_tddft:cap_qmax',mt_dbl,3,qmax)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rt_tddft_input_spatialcap.F:162:72: 162 | rend = rend * posconv | ^ Warning: 'posconv' may be used uninitialized [-Wmaybe-uninitialized] rt_tddft_input_spatialcap.F:37:33: 37 | double precision :: posconv | ^ note: 'posconv' was declared here Compiling rt_tddft_input.F... rt_tddft_input.F:136:22: 65 | $ mt_int,1,nfields)) | 2 ...... 136 | $ 1,use_dmat)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). rt_tddft_input.F:373:72: 373 | call errquit (pname//"invalid propagator: "//method) | 1 Warning: Missing actual argument for argument '_formal_6' at (1) rt_tddft_input.F:400:72: 400 | call errquit (pname//"BCH exp disabled"//method) | 1 Warning: Missing actual argument for argument '_formal_6' at (1) rt_tddft_input.F:404:72: 404 | $ "invalid exponentiation method: "//method) | 1 Warning: Missing actual argument for argument '_formal_6' at (1) make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/input' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a rt_tddft_input_put_defaults.o rt_tddft_input_field.o rt_tddft_input_print.o rt_tddft_input_excite.o rt_tddft_input_tolerances.o rt_tddft_input_visualization.o rt_tddft_input_mocap.o rt_tddft_input_spatialcap.o rt_tddft_input.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/input' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/input' Making all in init make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/init' Compiling rt_tddft_init_coulcdfit.F... rt_tddft_init_coulcdfit.F:217:72: 217 | params%iwhat_max = iwhat_max | ^ Warning: 'iwhat_max' is used uninitialized [-Wuninitialized] rt_tddft_init_coulcdfit.F:39:23: 39 | integer iwhat_max | ^ note: 'iwhat_max' was declared here rt_tddft_init_coulcdfit.F:218:72: 218 | params%n_semi_bufs = n_semi_bufs | ^ Warning: 'n_semi_bufs' is used uninitialized [-Wuninitialized] rt_tddft_init_coulcdfit.F:38:43: 38 | integer n3c_int, n3c_dbl, n_semi_bufs | ^ note: 'n_semi_bufs' was declared here rt_tddft_init_coulcdfit.F:219:72: 219 | params%fd = fd | ^ Warning: 'fd' is used uninitialized [-Wuninitialized] rt_tddft_init_coulcdfit.F:44:16: 44 | integer fd | ^ note: 'fd' was declared here Compiling rt_tddft_init_zora.F... Compiling rt_tddft_init_dip_quad_ints.F... Compiling rt_tddft_init_fock2e.F... Compiling rt_tddft_init_geoms.F... Compiling rt_tddft_init_rtdb.F... rt_tddft_init_rtdb.F:38:22: 26 | $ mt_dbl, 1, params%dt)) call errquit (pname// | 2 ...... 38 | $ mt_int, 1, params%nchecks)) call errquit (pname// | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling rt_tddft_init_check_params.F... rt_tddft_init_check_params.F:41:72: 41 | call rt_tddft_init_check_fields (params) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_init_overlap_canorg.F... Compiling rt_tddft_init_common.F... rt_tddft_init_common.F:79:22: 66 | $ mt_dbl, 1, local_d_conv)) then | 2 ...... 79 | $ mt_log, 1, dft_converged)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling rt_tddft_clean.F... Compiling task_rt_tddft.F... make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/init' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a rt_tddft_init_coulcdfit.o rt_tddft_init_zora.o rt_tddft_init_dip_quad_ints.o rt_tddft_init_fock2e.o rt_tddft_init_geoms.o rt_tddft_init_rtdb.o rt_tddft_init_check_params.o rt_tddft_init_overlap_canorg.o rt_tddft_init_common.o rt_tddft_clean.o task_rt_tddft.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/init' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/init' Making all in canorg make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/canorg' Compiling canorg_check.F... Compiling canorg_init.F... Compiling canorg_clean.F... Compiling canorg_trans.F... canorg_trans.F:108:72: 108 | call canorg_trans_zfock_ao2mo (params, g_zs_nm, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) canorg_trans.F:110:72: 110 | call canorg_trans_zdens_ao2mo (params, g_zs_nm, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) canorg_trans.F:127:72: 127 | call canorg_trans_zfock_mo2ao (params, g_zs_mn, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) canorg_trans.F:129:72: 129 | call canorg_trans_zdens_mo2ao (params, g_zs_mn, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/canorg' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a canorg_check.o canorg_init.o canorg_clean.o canorg_trans.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/canorg' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/canorg' Making all in propagators make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/propagators' Compiling exp_diag.F... exp_diag.F:66:72: 66 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_8' at (1) Compiling exp_pseries.F... exp_pseries.F:81:72: 81 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_8' at (1) Compiling prop_euler.F... Compiling prop_magnus_exp_bch.F... Compiling prop_magnus_exp_bch_scaled.F... Compiling prop_magnus_ord2_interpol.F... Compiling prop_magnus_ord2_step.F... Compiling prop_rk4.F... make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/propagators' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a exp_diag.o exp_pseries.o prop_euler.o prop_magnus_exp_bch.o prop_magnus_exp_bch_scaled.o prop_magnus_ord2_interpol.o prop_magnus_ord2_step.o prop_rk4.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/propagators' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/propagators' Making all in closedshell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/closedshell' Compiling zfock_cs_build.F... Compiling zfock_cs_core.F... Compiling zfock_cs_core_scalarzora.F... Compiling zfock_cs_coulcdfit.F... Compiling zfock_cs_coul_exchre.F... Compiling zfock_cs_coul.F... Compiling zfock_cs_dftxc.F... Compiling zfock_cs_exch.F... Compiling zfock_cs_exchim.F... Compiling rt_tddft_cs_init.F... Compiling rt_tddft_cs_confirm.F... Compiling rt_tddft_cs_checkpoint.F... Compiling rt_tddft_cs_restart.F... rt_tddft_cs_restart.F:54:67: 50 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_it', mt_int, 1, it)) | 2 ...... 54 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_tt', mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). rt_tddft_cs_restart.F:164:67: 161 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_it",mt_int, 1, it)) | 2 ...... 164 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_tt",mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling rt_tddft_cs_prop.F... Compiling rt_tddft_cs_tdfock.F... make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/closedshell' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a zfock_cs_build.o zfock_cs_core.o zfock_cs_core_scalarzora.o zfock_cs_coulcdfit.o zfock_cs_coul_exchre.o zfock_cs_coul.o zfock_cs_dftxc.o zfock_cs_exch.o zfock_cs_exchim.o rt_tddft_cs_init.o rt_tddft_cs_confirm.o rt_tddft_cs_checkpoint.o rt_tddft_cs_restart.o rt_tddft_cs_prop.o rt_tddft_cs_tdfock.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/closedshell' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/closedshell' Making all in openshell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/openshell' Compiling zfock_os_build.F... Compiling zfock_os_core.F... Compiling zfock_os_core_scalarzora.F... Compiling zfock_os_coul.F... Compiling zfock_os_coulcdfit.F... Compiling zfock_os_exch.F... Compiling zfock_os_dftxc.F... Compiling rt_tddft_os_init.F... Compiling rt_tddft_os_confirm.F... Compiling rt_tddft_os_prop.F... Compiling rt_tddft_os_tdfock.F... Compiling rt_tddft_os_checkpoint.F... Compiling rt_tddft_os_print.F... Compiling rt_tddft_os_restart.F... rt_tddft_os_restart.F:56:67: 52 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_it', mt_int, 1, it)) | 2 ...... 56 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_tt', mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). rt_tddft_os_restart.F:191:67: 188 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_it",mt_int, 1, it)) | 2 ...... 191 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_tt",mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/openshell' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a zfock_os_build.o zfock_os_core.o zfock_os_core_scalarzora.o zfock_os_coul.o zfock_os_coulcdfit.o zfock_os_exch.o zfock_os_dftxc.o rt_tddft_os_init.o rt_tddft_os_confirm.o rt_tddft_os_prop.o rt_tddft_os_tdfock.o rt_tddft_os_checkpoint.o rt_tddft_os_print.o rt_tddft_os_restart.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/openshell' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/openshell' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a rt_tddft.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft' Making all in libxc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/libxc' Compiling nwchem_libxc_read.F... Compiling nwchem_libxc_util.F... nwchem_libxc_util.F:173:10: 149 | $ libxc_nfuncs)) | 2 ...... 173 | $ libxc_facts)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). nwchem_libxc_util.F:215:10: 191 | $ libxc_nfuncs)) | 2 ...... 215 | $ libxc_facts)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/libxc' Compiling nwchem_libxc_compute.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/libxc' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/libxc' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a nwchem_libxc_read.o nwchem_libxc_util.o nwchem_libxc_compute.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/libxc' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/libxc' Making all in x2c make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/x2c' Compiling calc_x2c_w_scalar.F... Compiling x2c_getw_scalar.F... Compiling x2c_getw_efg_scalar.F... Compiling x2c_getw_moment_scalar.F... Compiling calc_x2c_1e_scalar_ga.F... calc_x2c_1e_scalar_ga.F:688:13: 688 | info = ga_cholesky('L', g_m, -1) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling calc_x2c_efg_scalar.F... calc_x2c_efg_scalar.F:480:23: 176 | call ga_zero(g_efgint) | 2 ...... 480 | call ga_zero(g_P) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) calc_x2c_efg_scalar.F:510:12: 392 | & g_temp,clo,chi) | 2 ...... 510 | & g_P,clo,chi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) calc_x2c_efg_scalar.F:522:12: 392 | & g_temp,clo,chi) | 2 ...... 522 | & g_P,clo,chi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) calc_x2c_efg_scalar.F:546:13: 391 | & g_efg, blo,bhi, | 2 ...... 546 | & g_P,blo,bhi, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) calc_x2c_efg_scalar.F:576:29: 221 | if (.not. ga_destroy(g_temp)) call errquit | 2 ...... 576 | if (.not. ga_destroy(g_P)) call errquit | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling calc_x2c_moment_scalar.F... Compiling calc_x2c_wefg_scalar.F... Compiling calc_x2c_wmoment_scalar.F... Compiling calc_x2c_hfc_scalar.F... calc_x2c_hfc_scalar.F:227:72: 227 | & pname//': g_u2c inconsistency', UNKNOWN_ERR) | 1 Warning: Missing actual argument for argument '_formal_13' at (1) Compiling write_x2c_pc_dip.F... Compiling read_x2c_pc_dip.F... Compiling x2c_scf.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/x2c' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a calc_x2c_w_scalar.o x2c_getw_scalar.o x2c_getw_efg_scalar.o x2c_getw_moment_scalar.o calc_x2c_1e_scalar_ga.o calc_x2c_efg_scalar.o calc_x2c_moment_scalar.o calc_x2c_wefg_scalar.o calc_x2c_wmoment_scalar.o calc_x2c_hfc_scalar.o write_x2c_pc_dip.o read_x2c_pc_dip.o x2c_scf.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/x2c' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/x2c' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a nwdft.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwdft.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft' Making libraries in rimp2 make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rimp2' Compiling rimp2_v_e2.F... rimp2_v_e2.F:164:56: 161 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 164 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mk_1d_shdist.F... Compiling ga_by_shells.F... Compiling xf3ci_step12.F... Compiling xf3ci_step3.F... Compiling xform_3cints.F... Compiling occ_ranges.F... Compiling rimp2_xf.F... Compiling close_3ci.F... Compiling open_3ci.F... Compiling put_3cints.F... Compiling get_3cints.F... Compiling rimp2.F... rimp2.F:130:54: 126 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 130 | if (.not. rtdb_get(rtdb,'dft:e_conv',mt_dbl,1,threshscf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling dgecop.F... Compiling lnblnk.f... Compiling max_v_diag.F... Compiling rimp2_parm.F... rimp2_parm.F:31:20: 23 | If ( .NOT. RTDB_Get( RTDB, 'mp2:aotol2e', MT_Dbl, 1, Thresh) ) | 2 ...... 31 | $ MT_Int, 1, MxTBatch) ) MxTBatch = -1 ! Determined by memory space | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling rimp2_timers.F... Compiling pr_corr_map.F... Compiling prog_report.F... Compiling xf3ci_mem12.F... Compiling iamax.f... Compiling rimp2_e_mem.F... rimp2_e_mem.F:124:12: 59 | $ 'RIMP2_E_Mem: Unable to allocate minimal GA', 0, GA_ERR) | 2 ...... 124 | $ Mem_Avail, MA_ERR) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rimp2' Compiling rimp2_denom.F... Compiling sum_pairs.F... Compiling xf3ci_s12a.F... Compiling xf3ci_s12b.F... Compiling eval_3ci.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rimp2' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rimp2' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/librimp2.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/librimp2.a rimp2_v_e2.o mk_1d_shdist.o ga_by_shells.o xf3ci_step12.o xf3ci_step3.o xform_3cints.o occ_ranges.o rimp2_xf.o close_3ci.o open_3ci.o put_3cints.o get_3cints.o rimp2.o dgecop.o lnblnk.o max_v_diag.o rimp2_parm.o rimp2_timers.o pr_corr_map.o prog_report.o xf3ci_mem12.o iamax.o rimp2_e_mem.o rimp2_denom.o sum_pairs.o xf3ci_s12a.o xf3ci_s12b.o eval_3ci.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/librimp2.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/librimp2.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/librimp2.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rimp2' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rimp2' Making libraries in stepper make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/stepper' Compiling stpr_cheker.F... Compiling stpr_chkhess.F... stpr_chkhess.F:31:10: 31 | IF (LSYM) THEN | ^ Warning: 'lsym' may be used uninitialized [-Wmaybe-uninitialized] stpr_chkhess.F:11:18: 11 | LOGICAL LSYM | ^ note: 'lsym' was declared here Compiling stpr_clnstp.F... Compiling stpr_cneed.f... Compiling stpr_cross.f... Compiling stpr_driver.F... Compiling stpr_fndmde.F... Compiling stpr_formup.F... Compiling stpr_gmass.f... Compiling stpr_hesupd.F... Compiling stpr_hmass.f... Compiling stpr_inihes.F... Compiling stpr_face.F... stpr_face.F:13:61: 13 | if (.not.rtdb_get(rtdb,'stepper:select',MT_INT,(3*nat),selbuf)) | 1 ...... 484 | if (.not.rtdb_get(rtdb,'stepper:setmass:dbl',MT_DBL,nat,xmass)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). stpr_face.F:454:62: 437 | if (.not.rtdb_put(rtdb,'stepper:select',MT_INT,(3*nat),selbuf)) | 2 ...... 454 | if (.not.rtdb_put(rtdb,'stepper:setmass:dbl',MT_DBL,nat,xmass)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling stpr_locate.f... Compiling stpr_matout.f... Compiling stpr_mgeom.f... Compiling stpr_mkstep.F... Compiling stpr_mktri.f... Compiling stpr_output.F... Compiling stpr_place.F... Compiling stpr_pmat.f... Compiling stpr_prntpd.f... Compiling stpr_projec.f... Compiling stpr_putbck.f... Compiling stpr_readsq.F... Compiling stpr_save.F... Compiling stpr_setmass.f... Compiling stpr_stepcor.F... Compiling stpr_stepper.f... Compiling stpr_sumstc.F... Compiling stpr_tprntd.f... Compiling stpr_uprcase.f... Compiling stpr_wlkchk.F... Compiling stpr_wrtsq.F... Compiling stpr_walk.F... Compiling stpr_datestp.f... stpr_walk.F:176:14: 95 | if (.not. rtdb_get(rtdb, 'task:energy', MT_DBL, 1, energy)) | 2 ...... 176 | $ okeepgeom)) okeepgeom = .false. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling distang.F... Compiling stpr_gh_at.F... stpr_gh_at.F:244:72: 244 | & ('stpr_gen_hess_at: reference point energy+grad failed',7) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) stpr_gh_at.F:371:26: 86 | & numerical_single)) then | 2 ...... 371 | & rank_hess,dbl_mb(k_gradm))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling stpr_gen_aux.F... stpr_gh_at.F:874:12: 874 | if (ogeom_aliased) then | ^ Warning: 'ogeom_aliased' may be used uninitialized [-Wmaybe-uninitialized] stpr_gh_at.F:59:27: 59 | logical ogeom_aliased | ^ note: 'ogeom_aliased' was declared here stpr_gh_at.F:729:72: 729 | time_taskg = int(1.2d00*(time_taskg1 + time_taskg2)) | ^ Warning: 'time_taskg1' may be used uninitialized [-Wmaybe-uninitialized] stpr_gh_at.F:62:34: 62 | double precision time_taskg1, time_taskg2 | ^ note: 'time_taskg1' was declared here stpr_gh_at.F:729:72: 729 | time_taskg = int(1.2d00*(time_taskg1 + time_taskg2)) | ^ Warning: 'time_taskg2' may be used uninitialized [-Wmaybe-uninitialized] stpr_gh_at.F:62:47: 62 | double precision time_taskg1, time_taskg2 | ^ note: 'time_taskg2' was declared here Compiling stpr_filenames.F... stpr_gen_aux.F:284:72: 284 | end | ^ Warning: '__result_stpr_check_genat_res' may be used uninitialized [-Wmaybe-uninitialized] stpr_gen_aux.F:216:47: 216 | logical function stpr_check_genat_restart( | ^ note: '__result_stpr_check_genat_res' was declared here Compiling stepper_inp.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/stepper' Compiling stpr_partit.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/stepper' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/stepper' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libstepper.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libstepper.a stpr_cheker.o stpr_chkhess.o stpr_clnstp.o stpr_cneed.o stpr_cross.o stpr_driver.o stpr_fndmde.o stpr_formup.o stpr_gmass.o stpr_hesupd.o stpr_hmass.o stpr_inihes.o stpr_face.o stpr_locate.o stpr_matout.o stpr_mgeom.o stpr_mkstep.o stpr_mktri.o stpr_output.o stpr_place.o stpr_pmat.o stpr_prntpd.o stpr_projec.o stpr_putbck.o stpr_readsq.o stpr_save.o stpr_setmass.o stpr_stepcor.o stpr_stepper.o stpr_sumstc.o stpr_tprntd.o stpr_uprcase.o stpr_wlkchk.o stpr_wrtsq.o stpr_walk.o stpr_datestp.o distang.o stpr_gh_at.o stpr_gen_aux.o stpr_filenames.o stepper_inp.o stpr_partit.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libstepper.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libstepper.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libstepper.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/stepper' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/stepper' Making libraries in driver make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/driver' Compiling opt_drv.F... Compiling oniom.F... oniom.F:186:11: 88 | $ usesymmol)) usesymmol=.false. | 2 ...... 186 | $ model_nat)) call errquit('oniom: model_nat?',0, RTDB_ERR) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). oniom.F:598:54: 120 | $ int_mb(k_actlist))) call errquit | 2 ...... 598 | if (.not. rtdb_put(rtdb,'oniom:energy',mt_dbl,1,energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling lbfgs.F... opt_drv.F:3480:23: 3479 | call ga_brdcst(1,ds, ma_sizeof(mt_dbl,nvar,mt_byte),0) | 2 3480 | call ga_brdcst(2,alpha, ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) opt_drv.F:1968:23: 1968 | call ga_brdcst(2,alpha, ma_sizeof(mt_dbl,1,mt_byte),0) | 1 ...... 3479 | call ga_brdcst(1,ds, ma_sizeof(mt_dbl,nvar,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) opt_drv.F:2850:50: 2497 | if (.not. rtdb_get(rtdb, 'task:energy', mt_dbl, 1, aenergy)) | 2 ...... 2850 | if (.not.rtdb_get(rtdb,'task:QMMM',mt_log,1,task_qmmm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). opt_drv.F:3714:11: 2497 | if (.not. rtdb_get(rtdb, 'task:energy', mt_dbl, 1, aenergy)) | 2 ...... 3714 | $ gx)) call errquit('driver: could not get gradient',0,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) opt_drv.F:956:26: 956 | 20 call ga_brdcst(323, old_hessian, ma_sizeof(mt_log,1,mt_byte), 0) | 1 ...... 3479 | call ga_brdcst(1,ds, ma_sizeof(mt_dbl,nvar,mt_byte),0) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling lbfgs-b.F... lbfgs-b.F:4127:50: 4125 | do 30 j = 2, n | 2 4126 | temp = -b(j-1) 4127 | call yaxpy(n-j+1,temp,t(j,j-1),1,b(j),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4128:17: 4125 | do 30 j = 2, n | 2 ...... 4128 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4128:24: 4125 | do 30 j = 2, n | 2 ...... 4128 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4128:31: 4125 | do 30 j = 2, n | 2 ...... 4128 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4166:17: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4166:24: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4166:42: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4167:17: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) 4167 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4167:24: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) 4167 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4167:31: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) 4167 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling lbfgs-b_driver.F... lbfgs-b_driver.F:126:58: 110 | if (.not. rtdb_get(irtdb,'onlystress',mt_log,1,onlystress)) | 2 ...... 126 | if (.not. rtdb_get(irtdb,'driver:gmax_tol',mt_dbl,1,tol(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). lbfgs-b_driver.F:578:72: 578 | + call errquit( pname//'Failed to deallocate memory') | 1 Warning: Missing actual argument for argument '_formal_12' at (1) Compiling lbfgs_driver.F... lbfgs_driver.F:86:57: 71 | if(.not.rtdb_get(irtdb,'lbfgs:maxiter',mt_int,1,maxiter)) | 2 ...... 86 | if (.not. rtdb_get(irtdb,'task:energy', mt_dbl, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). lbfgs-b.F:3121:41: 3121 | integer pointr,m2,col2,ibd,jy,js,i,j,k | ^ Warning: 'ibd' may be used uninitialized [-Wmaybe-uninitialized] Compiling lbfgs_utils.F... lbfgs-b.F:1464:72: 1464 | t(nbreak) = tl/(-neggi) | ^ Warning: 'tl' may be used uninitialized [-Wmaybe-uninitialized] lbfgs-b.F:1392:28: 1392 | + tu,tl,wmc,wmp,wmw,ydot,tj,tj0,neggi,sbgnrm | ^ note: 'tl' was declared here lbfgs-b.F:1392:25: 1392 | + tu,tl,wmc,wmp,wmw,ydot,tj,tj0,neggi,sbgnrm | ^ Warning: 'tu' may be used uninitialized [-Wmaybe-uninitialized] Compiling socket_driver.F... socket_driver.F:150:42: 121 | call util_talker_read(sock,msg,12) | 2 ...... 150 | call util_talker_read(sock,unita,n1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). socket_driver.F:190:43: 143 | call util_talker_write(sock,statebuffer,12) | 2 ...... 190 | call util_talker_write(sock,energy,8) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/driver' opt_drv.F:4333:72: 4333 | RX = (RXI + ix*amatangs(1,1)+iy*amatangs(1,2)+iz*amatangs(1,3)) | ^ Warning: 'lowx' may be used uninitialized [-Wmaybe-uninitialized] opt_drv.F:4223:18: 4223 | integer lowx,highx,lowy,highy,lowz,highz | ^ note: 'lowx' was declared here opt_drv.F:4333:72: 4333 | RX = (RXI + ix*amatangs(1,1)+iy*amatangs(1,2)+iz*amatangs(1,3)) | ^ Warning: 'lowy' may be used uninitialized [-Wmaybe-uninitialized] opt_drv.F:4223:29: 4223 | integer lowx,highx,lowy,highy,lowz,highz | ^ note: 'lowy' was declared here opt_drv.F:4333:72: 4333 | RX = (RXI + ix*amatangs(1,1)+iy*amatangs(1,2)+iz*amatangs(1,3)) | ^ Warning: 'lowz' may be used uninitialized [-Wmaybe-uninitialized] opt_drv.F:4223:40: 4223 | integer lowx,highx,lowy,highy,lowz,highz | ^ note: 'lowz' was declared here opt_drv.F:2815:72: 2815 | work(i3+1,k) = xx | ^ Warning: 'xx' may be used uninitialized [-Wmaybe-uninitialized] opt_drv.F:2765:47: 2765 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'xx' was declared here opt_drv.F:2816:72: 2816 | work(i3+2,k) = yy | ^ Warning: 'yy' may be used uninitialized [-Wmaybe-uninitialized] opt_drv.F:2765:51: 2765 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'yy' was declared here opt_drv.F:2817:72: 2817 | work(i3+3,k) = zz | ^ Warning: 'zz' may be used uninitialized [-Wmaybe-uninitialized] opt_drv.F:2765:55: 2765 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'zz' was declared here Compiling driver_input.F... driver_input.F:60:60: 39 | if (.not. rtdb_put(rtdb,'opt:driver',mt_log,1,.true.)) | 2 ...... 60 | if (.not. rtdb_put(rtdb,'driver:gmax_tol',mt_dbl,1,gmax_tol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/driver' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/driver' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdriver.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdriver.a opt_drv.o oniom.o lbfgs.o lbfgs-b.o lbfgs-b_driver.o lbfgs_driver.o lbfgs_utils.o socket_driver.o driver_input.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdriver.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdriver.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdriver.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/driver' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/driver' Making libraries in optim make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim' Making all in deloc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/deloc' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/deloc' Compiling deloc_driver.F... deloc_driver.F:140:57: 105 | if(.not.rtdb_get(irtdb,'driver:nptopt',mt_int,1,maxiter)) | 2 ...... 140 | if (.not. rtdb_get(irtdb,'task:energy', mt_dbl, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling deloc.F... Compiling deloc_utils.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/deloc' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/deloc' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/liboptim.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/liboptim.a deloc_driver.o deloc.o deloc_utils.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/liboptim.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/liboptim.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/liboptim.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/deloc' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/deloc' Making all in mepgs make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/mepgs' Compiling mepgs_drv.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/mepgs' mepgs_drv.F:2728:11: 1092 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 2 ...... 2728 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) mepgs_drv.F:2334:50: 1092 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 2 ...... 2334 | if (.not.rtdb_get(rtdb,'task:QMMM',mt_log,1,task_qmmm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). mepgs_drv.F:3007:23: 3006 | call ga_brdcst(1,ds,8*nvar,0) | 2 3007 | call ga_brdcst(2,alpha,8,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:1702:26: 1702 | 40 call ga_brdcst(323, old_hessian, ma_sizeof(mt_log,1,mt_byte), 0) | 1 ...... 3006 | call ga_brdcst(1,ds,8*nvar,0) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). mepgs_drv.F:453:58: 453 | $ call errquit('mepgs_energy_step: coordinates?', string, | 1 ...... 1019 | & call errquit('hnd_opt: geom_create?', 911, GEOM_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(*)/INTEGER(8)). mepgs_drv.F:3287:58: 3219 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 3287 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). mepgs_drv.F:2299:72: 2299 | work(i3+1,k) = mass*xx | ^ Warning: 'xx' may be used uninitialized [-Wmaybe-uninitialized] mepgs_drv.F:2237:47: 2237 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'xx' was declared here mepgs_drv.F:2300:72: 2300 | work(i3+2,k) = mass*yy | ^ Warning: 'yy' may be used uninitialized [-Wmaybe-uninitialized] mepgs_drv.F:2237:51: 2237 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'yy' was declared here mepgs_drv.F:2301:72: 2301 | work(i3+3,k) = mass*zz | ^ Warning: 'zz' may be used uninitialized [-Wmaybe-uninitialized] mepgs_drv.F:2237:55: 2237 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'zz' was declared here mepgs_drv.F:3106:72: 3106 | itlamb = lower + 1.0d-5 | ^ Warning: 'lower' may be used uninitialized [-Wmaybe-uninitialized] mepgs_drv.F:3087:58: 3087 | double precision check,dfn,dx,fn,itlamb,lambda,lower,upper | ^ note: 'lower' was declared here mepgs_drv.F:2916:10: 2916 | if (abs(gc(lowest)).lt.1.d-10) then | ^ Warning: 'lowest' may be used uninitialized [-Wmaybe-uninitialized] mepgs_drv.F:2804:26: 2804 | integer iact, lowest | ^ note: 'lowest' was declared here mepgs_drv.F:54:72: 54 | energy = energyts | ^ Warning: 'energyts' may be used uninitialized [-Wmaybe-uninitialized] mepgs_drv.F:21:31: 21 | double precision energyts | ^ note: 'energyts' was declared here Compiling mepgs_input.F... mepgs_input.F:57:58: 38 | if (.not. rtdb_put(rtdb,'mepgs:evib',mt_dbl,1,evib)) | 2 ...... 57 | if (.not. rtdb_put(rtdb,'mepgs:nircopt',mt_int,1,nircopt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/mepgs' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/mepgs' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/liboptim.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/liboptim.a mepgs_drv.o mepgs_input.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/liboptim.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/liboptim.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/mepgs' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/mepgs' Making all in tropt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/tropt' Compiling tropt_drv.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/tropt' tropt_drv.F:2288:11: 1868 | if (.not.rtdb_get(rtdb,'task:QMMM',mt_log,1,task_qmmm)) | 2 ...... 2288 | $ gx)) call errquit('tropt: could not get gradient',0,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). tropt_drv.F:2812:23: 2811 | call ga_brdcst(1,ds,8*nvar,0) | 2 2812 | call ga_brdcst(2,alpha,8,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tropt_drv.F:1757:26: 1757 | call ga_brdcst(1001,tropt_converged,ma_sizeof(mt_log,1,mt_byte),0) | 1 ...... 2811 | call ga_brdcst(1,ds,8*nvar,0) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). tropt_drv.F:1833:72: 1833 | work(i3+1,k) = xx | ^ Warning: 'xx' may be used uninitialized [-Wmaybe-uninitialized] tropt_drv.F:1784:47: 1784 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'xx' was declared here tropt_drv.F:1834:72: 1834 | work(i3+2,k) = yy | ^ Warning: 'yy' may be used uninitialized [-Wmaybe-uninitialized] tropt_drv.F:1784:51: 1784 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'yy' was declared here tropt_drv.F:1835:72: 1835 | work(i3+3,k) = zz | ^ Warning: 'zz' may be used uninitialized [-Wmaybe-uninitialized] tropt_drv.F:1784:55: 1784 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'zz' was declared here tropt_drv.F:3142:72: 3142 | lower = max(tmp1,tmp2) | ^ Warning: 'tmp1' may be used uninitialized [-Wmaybe-uninitialized] tropt_drv.F:3036:27: 3036 | double precision tmp1,tmp2 | ^ note: 'tmp1' was declared here tropt_drv.F:3142:72: 3142 | lower = max(tmp1,tmp2) | ^ Warning: 'tmp2' may be used uninitialized [-Wmaybe-uninitialized] tropt_drv.F:3036:32: 3036 | double precision tmp1,tmp2 | ^ note: 'tmp2' was declared here tropt_drv.F:2697:14: 2697 | if (eigval(hfollow).gt.-eigval(bmin)) lambda = eigval(lowest) | ^ Warning: 'bmin' may be used uninitialized [-Wmaybe-uninitialized] tropt_drv.F:2504:24: 2504 | integer iact, bmin, lowest, nneg | ^ note: 'bmin' was declared here tropt_drv.F:2691:10: 2691 | if (abs(gv(lowest)).lt.1.e-8) then | ^ Warning: 'lowest' may be used uninitialized [-Wmaybe-uninitialized] tropt_drv.F:2504:32: 2504 | integer iact, bmin, lowest, nneg | ^ note: 'lowest' was declared here Compiling tropt_input.F... tropt_input.F:48:59: 21 | if (.not. rtdb_put(rtdb,'opt:tropt',mt_log,1,.true.)) | 2 ...... 48 | if (.not. rtdb_put(rtdb,'tropt:gmax_tol',mt_dbl,1,gmax_tol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/tropt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/tropt' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/liboptim.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/liboptim.a tropt_drv.o tropt_input.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/liboptim.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/liboptim.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/tropt' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/tropt' Making all in neb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/neb' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/neb' Compiling neb_input.F... neb_input.F:82:55: 57 | if (.not. rtdb_put(rtdb,'neb:algorithm',mt_int,1,nbeads)) | 2 ...... 82 | if (.not. rtdb_put(rtdb,'neb:stepsize',mt_dbl,1,timestep)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling neb_drv.F... neb_drv.F:96:50: 81 | if (.not. rtdb_get(rtdb,'neb:gmax',mt_dbl,1,nebgmax)) | 2 ...... 96 | if (.not.rtdb_get(rtdb,'neb:steps',mt_int,1,nebsteps)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). neb_drv.F:986:54: 781 | if (.not.rtdb_put(rtdb,'neb:print_count',mt_int,1,print_count)) | 2 ...... 986 | if (.not.rtdb_put(rtdb,'bead_list:new',mt_log,1,.false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling neb_utils.F... neb_utils.F:863:54: 809 | if (.not. rtdb_get(rtdb,'neb:pathguess',mt_int,1,pathguess)) | 2 ...... 863 | if (.not.rtdb_get(rtdb,'neb:hasmiddle',mt_log,1,hasmiddle)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling bead_list.F... bead_list.F:1449:59: 301 | value = rtdb_get(bead_rtdb,rtdb_name,mt_int,1,size) | 2 ...... 1449 | if (.not.rtdb_get(bead_rtdb,'includestress',mt_log,1,ostress)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). bead_list.F:472:54: 467 | if(.not.rtdb_put(bead_rtdb,"scf:converged",mt_log,1,.false.)) | 2 ...... 472 | if(.not.rtdb_put(bead_rtdb,"neb:ibead",mt_int,1,i)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/neb' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/neb' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/liboptim.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/liboptim.a neb_input.o neb_drv.o neb_utils.o bead_list.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/liboptim.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/liboptim.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/neb' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/neb' Making all in string make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/string' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/string' Compiling string.F... string.F:479:58: 475 | if (.not. rtdb_get(rtdb, 'string:linopt', mt_log,1,linopt)) | 2 ...... 479 | if (.not. rtdb_get(rtdb,'string:pathguess',mt_int,1,pathguess)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). string.F:1788:33: 598 | call ycopy(ng,coords,1,coords_old,1) | 2 ...... 1788 | call ycopy(3*natoms*nbeads,0.0d0,0,dVdx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) string.F:1821:59: 845 | > mt_int,1,print_count)) | 2 ...... 1821 | if(.not.rtdb_put(rtdb,"scf:converged",mt_log,1,.false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling string_input.F... string_input.F:70:14: 46 | if (.not. rtdb_put(rtdb,'string:tol',mt_dbl,1,tol)) | 2 ...... 70 | $ nbeads)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/string' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/string' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/liboptim.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/liboptim.a string.o string_input.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/liboptim.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/liboptim.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/string' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/string' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim' Making libraries in cphf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cphf' Compiling cphf.F... Compiling cphf_poliz.F... cphf_poliz.F:133:52: 119 | if(.not.rtdb_get(rtdb,'scf:nalpha',mt_int,1,noa)) | 2 ...... 133 | if (.not. rtdb_get(rtdb,'dft:noc',mt_int,2,noc)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cphf_solve.F... cphf_solve.F:156:11: 152 | $ lshift)) lshift=0.0d0 | 2 ...... 156 | $ max_precond_iter)) max_precond_iter = 100 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cphf_solve.F:198:61: 195 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 198 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cphf_solve2.F... cphf_solve2.F:165:11: 158 | $ lshift)) lshift=0.0 | 2 ...... 165 | $ maxiter)) maxiter = 50 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cphf_solve2.F:237:61: 234 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 237 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cphf_solve3.F... cphf_solve3.F:227:11: 129 | if (.not. rtdb_get(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 2 ...... 227 | $ precond_tol)) precond_tol=1d-4 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cphf_solve3.F:342:61: 339 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 342 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cphf_solve4.F... cphf_solve4.F:153:11: 151 | $ precond_tol)) precond_tol=1d-4 | 2 152 | if (.not. rtdb_get(rtdb, 'cphf:maxiter', mt_int, 1, 153 | $ max_precond_iter)) max_precond_iter = 100 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cphf_solve4.F:206:61: 203 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 206 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cphf' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libcphf.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libcphf.a cphf.o cphf_poliz.o cphf_solve.o cphf_solve2.o cphf_solve3.o cphf_solve4.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libcphf.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libcphf.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libcphf.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cphf' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cphf' Making libraries in ccsd make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ccsd' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ccsd' Compiling ccden_driver.F... Compiling ccden_interm2.F... Compiling ccden_1pdm.F... Compiling ccsd_driver.F... ccsd_driver.F:357:57: 88 | if (.not. rtdb_get(rtdb, 'scf:nclosed', MT_INT, 1, nocc)) | 2 ...... 357 | If ( .NOT. RTDB_Get(RTDB, 'scf:energy', MT_Dbl, 1, RefEner) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ccsd_driver.F:384:20: 132 | $ occ_frozen)) | 2 ...... 384 | $ MT_Dbl, 1, EMP2) ) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ccsd_sortmo.F... Compiling geaxpy.F... Compiling ccden_2pdma.F... Compiling ccden_2pdmb.F... Compiling ccsd_mktau_ga.F... Compiling ccden_interm4.F... Compiling aoccsd2.F... aoccsd2.F:319:11: 316 | if (.not.rtdb_get(rtdb,'ccsd:use_ccsd_omp',mt_log,1,use_ccsd_omp)) | 2 ...... 319 | A ccsd_omp_threads)) ccsd_omp_threads=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ccsd_itm.F... Compiling ccsd_itm_omp.F... Compiling ccsd_t2pm.F... ccsd_t2pm.F:436:38: 399 | if (eaf_read(sxy_hl,faddr,icount,intsize*2).ne.0) | 2 ...... 436 | if (eaf_read(sxy_hl,faddr,ival,intsize).ne.0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ccsd_t2pm.F:448:38: 399 | if (eaf_read(sxy_hl,faddr,icount,intsize*2).ne.0) | 2 ...... 448 | if (eaf_read(sxy_hl,faddr,eri1,blocksize).ne.0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ccsd_t2pm.F:596:48: 504 | if (eaf_write(sxy_hl,faddr,icount,intsize*2).ne.0) | 2 ...... 596 | if (eaf_write(sxy_hl,faddr,eri1,blocksize).ne.0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ccsd_pampt2.F... Compiling ccsd_pampt3.F... Compiling ccsd_idx1.F... Compiling ccsd_idx2.F... Compiling ccsd_idx34.F... Compiling ccsd_tengy.F... Compiling ccsd_trpdrv.F... Compiling ccsd_trpdrv_nb.F... Compiling ccsd_trpdrv_omp.F... Compiling ccsd_trpdrv_omp_mixprec.F... Compiling moints_trp.F... moints_trp.F:136:72: 136 | $ ('moints: cannot get geometry', 0, GEOM_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:141:72: 141 | $ call errquit('moints_trp: cannot get basis info',0,BASIS_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:159:72: 159 | $ call errquit('moints_trp: no memory for syms?',0, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:162:72: 162 | $ call errquit('moints_trp: cannot ga_create tmp',0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:169:72: 169 | $ call errquit('cannot destroy tmp',0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:172:72: 172 | & UNKNOWN_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:206:72: 206 | & MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:232:72: 232 | & MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:272:72: 272 | $ call errquit('moints_trp: push ssbb',n_ssbb,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:293:72: 293 | $ call errquit('moints_trp: push buf',max2e,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:296:72: 296 | $ call errquit('moints_trp: push scr',mem2,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:309:72: 309 | $ call errquit('moints_trp: pop iscr',l_iscr,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:311:72: 311 | $ call errquit('moints_trp: pop eri',l_eri,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:315:72: 315 | $ call errquit('moints_trp: push hlp',n_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:322:72: 322 | $ MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:337:72: 337 | $ MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:349:72: 349 | $ call errquit('moints_trp: pop hlp',l_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:355:72: 355 | $ call errquit('moints_trp: pop ssbb',l_ssbb,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:359:72: 359 | $ call errquit('moints_trp: push hlp',n_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:365:72: 365 | $ call errquit('moints_trp: push hlp2',n_hlp2,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:377:72: 377 | $ call errquit('moints_trp: pop hlp2',l_hlp2,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:384:72: 384 | $ call errquit('moints_trp: push hlp3',n_hlp3,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:393:72: 393 | $ call errquit('moints_trp: pop hlp3',l_hlp3,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:410:72: 410 | $ call errquit('moints_trp: pop hlp',l_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:422:72: 422 | $ call errquit('moints_trp: failed to pop', l_shmap, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:450:72: 450 | $ call errquit('moints_trp: pop hlp', l_hlp, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:453:72: 453 | $ call errquit('moints_trp: pop sym',0, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling ccsd.F... Compiling ccsd_aux.F... Compiling ccsd_get_param.F... ccsd_get_param.F:21:22: 19 | if (.not. rtdb_get(Rtdb, 'ccsd:ccd', mt_log, 1, occd))occd=.false. | 2 20 | if (.not. rtdb_get(rtdb, 'ccsd:maxiter', 21 | $ MT_INT, 1, maxit)) maxit = 20 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ccsd_iterdrv2.F... ccsd_iterdrv2.F:173:60: 111 | if (.not. rtdb_get(rtdb, 'ccsd:usedisk', mt_log, 1, use_disk)) | 2 ...... 173 | if(.not.rtdb_get(rtdb, 'ccsd:corlenerg',MT_DBL, 1, eccsd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). ccsd_iterdrv2.F:243:60: 239 | if(.not.rtdb_put(rtdb, 'ccsd:corlenerg',MT_DBL, 1, eccsd)) | 2 ...... 243 | if(.not.rtdb_put(rtdb, 'ccsd:converged',MT_LOG, 1, oconverged)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling ccsd_mktask.F... Compiling ccsd_mkt2.F... Compiling ccsd_pdiis.F... Compiling ccsd_trpmo.F... Compiling ccsd_rdtrpo.F... Compiling qstat.F... qstat.F:182:34: 179 | call ga_dgop(msg_qstat_3,nrout,1,'min') | 2 ...... 182 | call ga_dgop(msg_qstat_1,tcp_min,1,'min') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling cputime.F... Compiling rddcom.F... Compiling ccsd_input.F... ccsd_input.F:71:57: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 71 | if (.not. rtdb_put(rtdb, 'ccsd:thresh', mt_dbl, 1, convi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ccsd_input.F:106:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 106 | $ IList)) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:114:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 114 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:122:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 122 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:130:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 130 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:138:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 138 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:146:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 146 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:154:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 154 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ccsd_graddrv.F... Compiling ccsd_zvecs.F... Compiling ccsd_pzamp.F... Compiling ccsd_zsig1.F... Compiling ccsd_zsig2.F... Compiling ccsd_z2pm.F... Compiling ccsd_tzinta.F... Compiling ccsd_tzintb.F... Compiling ccsd_mem.F... Compiling ccsd_pstat.F... Compiling convert_single_double.F... Compiling ccsd_aosig.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ccsd' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ccsd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libccsd.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libccsd.a ccden_driver.o ccden_interm2.o ccden_1pdm.o ccsd_driver.o ccsd_sortmo.o geaxpy.o ccden_2pdma.o ccden_2pdmb.o ccsd_mktau_ga.o ccden_interm4.o aoccsd2.o ccsd_itm.o ccsd_itm_omp.o ccsd_t2pm.o ccsd_pampt2.o ccsd_pampt3.o ccsd_idx1.o ccsd_idx2.o ccsd_idx34.o ccsd_tengy.o ccsd_trpdrv.o ccsd_trpdrv_nb.o ccsd_trpdrv_omp.o ccsd_trpdrv_omp_mixprec.o moints_trp.o ccsd.o ccsd_aux.o ccsd_get_param.o ccsd_iterdrv2.o ccsd_mktask.o ccsd_mkt2.o ccsd_pdiis.o ccsd_trpmo.o ccsd_rdtrpo.o qstat.o cputime.o rddcom.o ccsd_input.o ccsd_graddrv.o ccsd_zvecs.o ccsd_pzamp.o ccsd_zsig1.o ccsd_zsig2.o ccsd_z2pm.o ccsd_tzinta.o ccsd_tzintb.o ccsd_mem.o ccsd_pstat.o convert_single_double.o ccsd_aosig.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libccsd.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libccsd.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libccsd.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ccsd' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ccsd' Making libraries in vib make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/vib' Compiling vib_bcalc.F... Compiling vib_bend.F... Compiling vib_bstr.F... Compiling vib_cebdab.F... Compiling vib_chkhess.F... Compiling vib_clean.F... Compiling vib_cross.F... Compiling vib_dsquar.F... Compiling vib_dtrngl.F... Compiling vib_eckart.F... Compiling vib_gtors.F... Compiling vib_hmass.F... Compiling vib_libe.F... Compiling vib_nmass.F... Compiling vib_prdata.F... Compiling vib_prntpd.F... Compiling vib_rdinp.F... vib_rdinp.F:95:44: 61 | if (rtdb_get(rtdb,'vib:project',MT_LOG,1,dum_log)) then | 2 ...... 95 | & (rtdb,'vib:remass:count',mt_int,1,num_new_masses)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling vib_setup.F... Compiling vib_tors.F... Compiling vib_transp.F... Compiling vib_vib.F... Compiling vib_wmatrix.F... Compiling vib_wrtfreq.F... vib_wrtfreq.F:199:50: 194 | if (.not.rtdb_put(rtdb,'vib:linear',mt_log,1,.true.)) | 2 ...... 199 | if(.not. rtdb_put(rtdb,'vib:zpe',MT_DBL,1,ezero)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling vib_zmatin.F... Compiling vib_intense.F... Compiling vib_istep.F... vib_istep.F:252:33: 248 | & mt_dbl,1,step_size)) then | 2 ...... 252 | & mt_log,1,overwrite_files)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling vib_thermo.F... Compiling vib_phonon.F... vib_phonon.F:1127:30: 1125 | call yscal(2*nion3*nion3,1.0d6,dmat,1) | 2 1126 | call jheev('N','U',nion3,dmat,nion3,wp,work,lwork,rwork,ierr) 1127 | call yscal(nion3,1.0d-6,wp,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). vib_phonon.F:53:52: 53 | if (.not.rtdb_get(rtdb,'vib:animate',mt_log,1,animate)) | 1 ...... 584 | if(.not. rtdb_get(rtdb,'vib:scalefreq',MT_DBL,1,scalefreq)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). vib_phonon.F:156:72: 156 | > hess,dbl_mb(hessadjust(1))) | 1 Warning: Type mismatch in argument 'w1' at (1); passed COMPLEX(8) to REAL(8) Compiling vib_zone_input.F... vib_zone_input.F:138:26: 130 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 138 | > dbl_mb(kvs(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling vib_input.F... vib_phonon.F:1076:43: 1076 | real*8 dx,dy,dz,x,y,z,d2,d2min,qrmin,fac | ^ Warning: 'qrmin' may be used uninitialized [-Wmaybe-uninitialized] vib_input.F:70:51: 61 | if (.not.rtdb_put(rtdb,'vib:animate',mt_log,1,.true.)) | 2 ...... 70 | & 'vib:animate:step_size',mt_dbl,1,animate_step)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/vib' vib_phonon.F:297:72: 297 | > +(kq(3)-kold(3))**2) | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] vib_phonon.F:33:54: 33 | real*8 xx,yy,zz,xxx,yyy,zzz,ks(3),kq(3),kold(3),pathlength,dist | ^ note: 'kold[2]' was declared here vib_phonon.F:297:72: 297 | > +(kq(3)-kold(3))**2) | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] vib_phonon.F:33:54: 33 | real*8 xx,yy,zz,xxx,yyy,zzz,ks(3),kq(3),kold(3),pathlength,dist | ^ note: 'kold[1]' was declared here vib_phonon.F:297:72: 297 | > +(kq(3)-kold(3))**2) | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] vib_phonon.F:33:54: 33 | real*8 xx,yy,zz,xxx,yyy,zzz,ks(3),kq(3),kold(3),pathlength,dist | ^ note: 'kold[0]' was declared here Compiling vib_callg.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/vib' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/vib' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libvib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libvib.a vib_bcalc.o vib_bend.o vib_bstr.o vib_cebdab.o vib_chkhess.o vib_clean.o vib_cross.o vib_dsquar.o vib_dtrngl.o vib_eckart.o vib_gtors.o vib_hmass.o vib_libe.o vib_nmass.o vib_prdata.o vib_prntpd.o vib_rdinp.o vib_setup.o vib_tors.o vib_transp.o vib_vib.o vib_wmatrix.o vib_wrtfreq.o vib_zmatin.o vib_intense.o vib_istep.o vib_thermo.o vib_phonon.o vib_zone_input.o vib_input.o vib_callg.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libvib.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libvib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libvib.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/vib' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/vib' Making libraries in mcscf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mcscf' Compiling mcscf.F... mcscf.F:843:52: 843 | if (.not. rtdb_get(rtdb, 'charge', MT_DBL, 1, charge)) | 1 ...... 891 | if (.not.rtdb_get(rtdb,'mcscf:prof',MT_LOG,1,omcscfprof)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). mcscf.F:863:60: 863 | if (.not. rtdb_put(rtdb, 'mcscf:nclosed', mt_int, 1, nclosed)) | 1 ...... 902 | if (.not.rtdb_put(rtdb,'scf:pstat',MT_LOG,1,.true.)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling mcscf_b.F... mcscf_b.F:222:52: 202 | call ga_put(g_dens, i, i, i, i, 2.d0, 1 ) | 2 ...... 222 | $ call ga_put(g_dens, aoff, aend, aoff, aend, dm1, nact ) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) mcscf_b.F:97:51: 97 | $ call ga_put(g_tmp, aoff, aend, aoff, aend, dm1, nact ) | 1 ...... 202 | call ga_put(g_dens, i, i, i, i, 2.d0, 1 ) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling mcscf_aux.F... Compiling mcscf_ci.F... mcscf_ci.F:158:59: 81 | if (.not.rtdb_get(rtdb,'mcscf:cimaxiter',MT_INT,1,maxiter)) | 2 ...... 158 | if (rtdb_get(rtdb,'mcscf:guess',MT_INT,(nela+nelb),itmp)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) mcscf_aux.F:337:58: 335 | if (.not. rtdb_get(rtdb, 'mcscf:tol2e', MT_DBL, 1, tol2e)) | 2 336 | $ tol2e = 1d-9 337 | if (.not.rtdb_get(rtdb, 'mcscf:skeleton',MT_LOG, 1, oskel)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). mcscf_aux.F:985:51: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 985 | if (oscreen) call ga_put(g_v,ii,ii,1,1,zero,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:998:51: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 998 | if (oscreen) call ga_put(g_v,ii,ii,1,1,zero,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1010:51: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1010 | if (oscreen) call ga_put(g_v,ii,ii,1,1,zero,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1468:32: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1468 | call ga_put(g_u,i,i,i,i,1.d0,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1473:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1473 | call ga_put(g_u,ii,ii,ii,ii,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1474:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1474 | call ga_put(g_u,jj,jj,jj,jj,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1476:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1476 | call ga_put(g_u,ii,ii,jj,jj,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1477:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1477 | call ga_put(g_u,jj,jj,ii,ii,-xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling mcscf_etr.F... Compiling mcscf_fcore.F... Compiling mcscf_fock.F... mcscf_fock.F:576:40: 574 | $ nclosed+1,nclosed+nact,nclosed+1,nclosed+nact, dm1, nact) | 2 575 | do p = 1, nclosed 576 | call ga_put(g_gfock,p,p,p,p,2.0d0,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling mcscf_hdiag.F... Compiling mcscf_ohv.F... Compiling mcscf_ohv1e.F... Compiling mcscf_ohv2e.F... Compiling mcscf_ohvao.F... Compiling mcscf_ohvmo.F... Compiling mcscf_orb.F... mcscf_orb.F:112:60: 104 | if (.not. rtdb_get(rtdb,'mcscf:tol2e',MT_DBL,1,tol2e)) then | 2 ...... 112 | if (.not. rtdb_get(rtdb,'mcscf:hessiantype',MT_INT,1,pflg)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling mcscf_prcnd.F... Compiling mcscf_debug.F... Compiling mcscf_input.F... mcscf_input.F:75:59: 67 | if (.not. rtdb_put(rtdb, 'mcscf:thresh', mt_dbl, 1, conv)) | 2 ...... 75 | if (.not. rtdb_put(rtdb, 'mcscf:maxiter', mt_int, 1, maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Making all in detci make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mcscf/detci' Compiling detci_aux.F... Compiling detci_intf.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mcscf/detci' detci_aux.F:1140:72: 1140 | 110 cfg(nela+i,1) = kx(j) | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] detci_aux.F:1090:17: 1090 | integer i,j,ii,jj,nopen,noorb,isym | ^ note: 'j' was declared here detci_intf.F:919:22: 373 | call ga_dgop(msg_detci_maxsync, detci_absync_etime, | 2 ...... 919 | call ga_dgop(1, twopdm, nn*nn, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling detci_dens.F... Compiling detci_diag.F... Compiling detci_sigma.F... Compiling detci_spin.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mcscf/detci' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mcscf/detci' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libmcscf.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libmcscf.a detci_aux.o detci_intf.o detci_dens.o detci_diag.o detci_sigma.o detci_spin.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libmcscf.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libmcscf.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libmcscf.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mcscf/detci' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mcscf/detci' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mcscf' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libmcscf.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libmcscf.a mcscf.o mcscf_b.o mcscf_aux.o mcscf_ci.o mcscf_etr.o mcscf_fcore.o mcscf_fock.o mcscf_hdiag.o mcscf_ohv.o mcscf_ohv1e.o mcscf_ohv2e.o mcscf_ohvao.o mcscf_ohvmo.o mcscf_orb.o mcscf_prcnd.o mcscf_debug.o mcscf_input.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libmcscf.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libmcscf.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mcscf' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mcscf' Making libraries in prepar make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/prepar' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/prepar' Compiling prepar.F... Compiling pre_admin.F... pre_admin.F:178:72: 178 | return | ^ Warning: '__result_pre_admin' may be used uninitialized [-Wmaybe-uninitialized] pre_admin.F:1:32: 1 | logical function pre_admin(lfncmd,filcmd,lfnout,lfnfrg) | ^ note: '__result_pre_admin' was declared here Compiling pre_align.F... Compiling pre_ang.F... Compiling pre_atmscn.F... Compiling pre_atnam.F... Compiling pre_atnum.F... Compiling pre_atom_index.F... Compiling pre_atrad.F... Compiling pre_atype.F... Compiling pre_base.F... Compiling pre_bnd.F... Compiling pre_bonds.F... Compiling pre_boxsiz.F... Compiling pre_center.F... Compiling pre_charge.F... pre_charge.F:190:51: 131 | if(.not.rtdb_put(irtdb,'charge',mt_dbl,1,charge)) | 2 ...... 190 | if(.not.rtdb_put(irtdb,'esp:newgrd',mt_int,1,newgrd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling pre_check.F... Compiling pre_collaps.F... Compiling pre_crop.F... pre_collaps.F:278:72: 278 | xs(k,i)=xs(k,i)+root*tran(k) | ^ Warning: 'tran[0]' may be used uninitialized [-Wmaybe-uninitialized] pre_collaps.F:45:26: 45 | real*8 tr(3),tran(3),xmax(3),xmin(3) | ^ note: 'tran[0]' was declared here pre_collaps.F:278:72: 278 | xs(k,i)=xs(k,i)+root*tran(k) | ^ Warning: 'tran[1]' may be used uninitialized [-Wmaybe-uninitialized] pre_collaps.F:45:26: 45 | real*8 tr(3),tran(3),xmax(3),xmin(3) | ^ note: 'tran[1]' was declared here pre_collaps.F:278:72: 278 | xs(k,i)=xs(k,i)+root*tran(k) | ^ Warning: 'tran[2]' may be used uninitialized [-Wmaybe-uninitialized] pre_collaps.F:45:26: 45 | real*8 tr(3),tran(3),xmax(3),xmin(3) | ^ note: 'tran[2]' was declared here Compiling pre_dih.F... Compiling pre_dihimp.F... Compiling pre_dihsel.F... Compiling pre_dimens.F... Compiling pre_disres.F... Compiling pre_dummy.F... Compiling pre_equiv.F... Compiling pre_excl.F... Compiling pre_ffield.F... Compiling pre_fix.F... Compiling pre_frgsiz.F... pre_ffield.F:264:9: 264 | if(icomb.ne.jcomb) then | ^ Warning: 'jcomb' may be used uninitialized [-Wmaybe-uninitialized] pre_ffield.F:39:56: 39 | integer i,j,length,nt,ng,latnum,mult,ifnd,nd,jcomb | ^ note: 'jcomb' was declared here Compiling pre_frgrd.F... Compiling pre_gensgm.F... Compiling pre_his.F... Compiling pre_hnames.F... Compiling pre_hybrid.F... Compiling pre_imp.F... Compiling pre_input.F... pre_input.F:1239:72: 1239 | if(.not.inp_i(icolgrp)) call md_abort('pre_input collapse_group') | 1 Warning: Missing actual argument for argument '_formal_5' at (1) pre_input.F:1240:72: 1240 | if(.not.inp_i(jcolgrp)) call md_abort('pre_input collapse_group') | 1 Warning: Missing actual argument for argument '_formal_5' at (1) pre_input.F:1874:57: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1874 | if(.not.rtdb_put(irtdb,'prep:ifract',mt_int,nfract,ifract)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_input.F:1885:57: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1885 | if(.not.rtdb_put(irtdb,'prep:icount',mt_int,ncount,icount)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_input.F:1890:52: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1890 | if(.not.rtdb_put(irtdb,'prep:fcount',mt_dbl,1,fcount)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pre_input.F:1900:57: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1900 | if(.not.rtdb_put(irtdb,'prep:iogrid',mt_int,nrgrid,iogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_input.F:1902:59: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1902 | if(.not.rtdb_put(irtdb,'prep:rogrid',mt_int,2*nrgrid,rogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling pre_links.F... pre_links.F:251:9: 251 | if(pre_protein(cseq(1,i))) goto 14 | 1 Warning: Missing actual argument for argument '_formal_15' at (1) Compiling pre_master.F... Compiling pre_merge.F... pre_merge.F:88:37: 88 | + (card(17:17).ne.altloc).and.(altloc.ne.'*')) goto 1 | ^ Warning: 'altloc[1]{lb: 1 sz: 1}' may be used uninitialized [-Wmaybe-uninitialized] pre_merge.F:14:24: 14 | character*1 altloc,chain | ^ note: 'altloc[1]{lb: 1 sz: 1}' was declared here pre_merge.F:95:36: 95 | + (card(22:22).ne.chain).and.(chain.ne.'*')) goto 1 | ^ Warning: 'chain[1]{lb: 1 sz: 1}' may be used uninitialized [-Wmaybe-uninitialized] pre_merge.F:14:30: 14 | character*1 altloc,chain | ^ note: 'chain[1]{lb: 1 sz: 1}' was declared here Compiling pre_misfit.F... Compiling pre_mkfrg.F... Compiling pre_mklist.F... Compiling pre_mknoe.F... Compiling pre_mkrst.F... Compiling pre_mkseq.F... Compiling pre_mksgm.F... Compiling pre_mktop.F... Compiling pre_modify.F... Compiling pre_multip.F... Compiling pre_namiup.F... Compiling pre_natyps.F... Compiling pre_nonbon.F... Compiling pre_nucleic.F... Compiling pre_orient.F... Compiling pre_params.F... Compiling pre_parcnv.F... Compiling pre_paths.F... Compiling pre_paths2.F... Compiling pre_pdbseq.F... Compiling pre_pdbsiz.F... Compiling pre_protein.F... Compiling pre_rdgeom.F... Compiling pre_rdpdb.F... Compiling pre_rstmod.F... Compiling pre_rdrst.F... Compiling pre_rdseq.F... Compiling pre_rdsgm.F... Compiling pre_removw.F... Compiling pre_rename.F... Compiling pre_repeat.F... Compiling pre_rot.F... Compiling pre_rotate.F... Compiling pre_rstsiz.F... Compiling pre_rtdbin.F... pre_rtdbin.F:90:57: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 90 | if(.not.rtdb_get(irtdb,'prep:ifract',mt_int,nfract,ifract)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_rtdbin.F:96:57: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 96 | if(.not.rtdb_get(irtdb,'prep:icount',mt_int,ncount,icount)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_rtdbin.F:101:52: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 101 | if(.not.rtdb_get(irtdb,'prep:fcount',mt_dbl,1,fcount)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pre_rtdbin.F:106:57: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 106 | if(.not.rtdb_get(irtdb,'prep:iogrid',mt_int,nrgrid,iogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_rtdbin.F:108:59: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 108 | if(.not.rtdb_get(irtdb,'prep:rogrid',mt_int,2*nrgrid,rogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling pre_rtdbsq.F... Compiling pre_select.F... pre_select.F:45:40: 45 | call atom_selection(csa,isegm,nsa,card,int_mb(i_list)) | 1 Warning: Character length of actual argument shorter than of dummy argument 'target' (80/255) at (1) Compiling pre_seqsiz.F... Compiling pre_sgmfil.F... Compiling pre_sgmndx.F... Compiling pre_sgmnum.F... Compiling pre_sgmsiz.F... Compiling pre_short.F... Compiling pre_slvnum.F... Compiling pre_slvrd.F... Compiling pre_slvsiz.F... Compiling pre_solvat.F... Compiling pre_task.F... Compiling pre_term.F... Compiling pre_third.F... Compiling pre_toprd.F... Compiling pre_topsiz.F... Compiling pre_torang.F... Compiling pre_transl.F... Compiling pre_wrtnam.F... Compiling pre_wrtnoe.F... Compiling pre_wrtpdb.F... Compiling pre_wrtpmf.F... Compiling pre_wrtpov.F... Compiling pre_wrtrst.F... Compiling pre_wrtseq.F... Compiling pre_wrtsgm.F... Compiling pre_wrttop.F... Compiling pre_wrtxyz.F... Compiling pre_impctr.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/prepar' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/prepar' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libprepar.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libprepar.a prepar.o pre_admin.o pre_align.o pre_ang.o pre_atmscn.o pre_atnam.o pre_atnum.o pre_atom_index.o pre_atrad.o pre_atype.o pre_base.o pre_bnd.o pre_bonds.o pre_boxsiz.o pre_center.o pre_charge.o pre_check.o pre_collaps.o pre_crop.o pre_dih.o pre_dihimp.o pre_dihsel.o pre_dimens.o pre_disres.o pre_dummy.o pre_equiv.o pre_excl.o pre_ffield.o pre_fix.o pre_frgsiz.o pre_frgrd.o pre_gensgm.o pre_his.o pre_hnames.o pre_hybrid.o pre_imp.o pre_input.o pre_links.o pre_master.o pre_merge.o pre_misfit.o pre_mkfrg.o pre_mklist.o pre_mknoe.o pre_mkrst.o pre_mkseq.o pre_mksgm.o pre_mktop.o pre_modify.o pre_multip.o pre_namiup.o pre_natyps.o pre_nonbon.o pre_nucleic.o pre_orient.o pre_params.o pre_parcnv.o pre_paths.o pre_paths2.o pre_pdbseq.o pre_pdbsiz.o pre_protein.o pre_rdgeom.o pre_rdpdb.o pre_rstmod.o pre_rdrst.o pre_rdseq.o pre_rdsgm.o pre_removw.o pre_rename.o pre_repeat.o pre_rot.o pre_rotate.o pre_rstsiz.o pre_rtdbin.o pre_rtdbsq.o pre_select.o pre_seqsiz.o pre_sgmfil.o pre_sgmndx.o pre_sgmnum.o pre_sgmsiz.o pre_short.o pre_slvnum.o pre_slvrd.o pre_slvsiz.o pre_solvat.o pre_task.o pre_term.o pre_third.o pre_toprd.o pre_topsiz.o pre_torang.o pre_transl.o pre_wrtnam.o pre_wrtnoe.o pre_wrtpdb.o pre_wrtpmf.o pre_wrtpov.o pre_wrtrst.o pre_wrtseq.o pre_wrtsgm.o pre_wrttop.o pre_wrtxyz.o pre_impctr.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libprepar.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libprepar.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libprepar.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/prepar' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/prepar' Making libraries in esp make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/esp' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/esp' Compiling esp.F... Compiling esp_dalloc.F... Compiling esp_denmat.F... Compiling esp_elemom.F... Compiling esp_esp.F... Compiling esp_fastesp.F... Compiling esp_getden.F... Compiling esp_fit.F... Compiling esp_getg.F... Compiling esp_getx.F... Compiling esp_grdcnt.F... Compiling esp_grid.F... esp_grid.F:70:31: 29 | call ga_brdcst(mre_013,v,ngrid*ma_sizeof(mt_dbl,1,mt_byte),0) | 2 ...... 70 | call ga_brdcst(mre_001,ngrid,ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling esp_input.F... esp_input.F:441:53: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) | 2 ...... 441 | if(.not.rtdb_put(irtdb,'esp:radius',mt_dbl,107,radius)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) esp_input.F:444:51: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) | 2 ...... 444 | if(.not.rtdb_put(irtdb,'esp:nconst',mt_int,1,nconst)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). esp_input.F:451:54: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) | 2 ...... 451 | if(.not.rtdb_put(irtdb,'esp:rcon',mt_dbl,nconst,rcon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling esp_malloc.F... Compiling esp_matinv.F... Compiling esp_out.F... Compiling esp_plt.F... Compiling esp_rms.F... Compiling esp_rtdbin.F... esp_rtdbin.F:67:53: 62 | if(.not.rtdb_get(irtdb,'esp:probe',mt_dbl,1,probe)) probe=0.07d0 | 2 ...... 67 | if(.not.rtdb_get(irtdb,'esp:radius',mt_dbl,107,radius)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) esp_rtdbin.F:176:51: 62 | if(.not.rtdb_get(irtdb,'esp:probe',mt_dbl,1,probe)) probe=0.07d0 | 2 ...... 176 | if(.not.rtdb_get(irtdb,'esp:nconst',mt_int,1,nconst)) nconst=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). esp_rtdbin.F:182:54: 62 | if(.not.rtdb_get(irtdb,'esp:probe',mt_dbl,1,probe)) probe=0.07d0 | 2 ...... 182 | if(.not.rtdb_get(irtdb,'esp:rcon',mt_dbl,nconst,rcon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling esp_wrtinp.F... Compiling esp_jacobi.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/esp' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/esp' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libesp.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libesp.a esp.o esp_dalloc.o esp_denmat.o esp_elemom.o esp_esp.o esp_fastesp.o esp_getden.o esp_fit.o esp_getg.o esp_getx.o esp_grdcnt.o esp_grid.o esp_input.o esp_malloc.o esp_matinv.o esp_out.o esp_plt.o esp_rms.o esp_rtdbin.o esp_wrtinp.o esp_jacobi.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libesp.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libesp.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libesp.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/esp' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/esp' Making libraries in hessian make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/hessian' Compiling hess_blas.F... hess_blas.F:161:31: 79 | $ g_vecs, 1, nbf, 1, nocc, | 2 ...... 161 | $ g_dens, 1, nbf, 1, nocc, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hess_blas.F:183:31: 79 | $ g_vecs, 1, nbf, 1, nocc, | 2 ...... 183 | $ g_dens, 1, nbf, 1, nocc, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hess_input.F... hess_input.F:40:63: 32 | if (.not. rtdb_put(rtdb,'hess:pstat', MT_LOG, 1, .true.)) | 2 ...... 40 | if (.not. rtdb_put(rtdb, 'hessian:thresh', mt_dbl, 1, conv)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Making all in analytic make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/hessian/analytic' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/hessian/analytic' Making all in dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/hessian/analytic/dft' Compiling hess_anal.F... Compiling xc_d2expl.F... make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/hessian/analytic/dft' Compiling hess_init.F... hess_init.F:203:57: 170 | if (.not. rtdb_get(rtdb, 'scf:nclosed', MT_INT, 1, nclosed)) | 2 ...... 203 | if (.not. rtdb_get(rtdb, 'dft:cdfit', mt_log, 1, ocdfit)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hess_init.F:244:55: 170 | if (.not. rtdb_get(rtdb, 'scf:nclosed', MT_INT, 1, nclosed)) | 2 ...... 244 | if (.not. rtdb_get(rtdb, 'dft:noc', mt_int, 2, dftnoc)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hess_energyinit.F... hess_energyinit.F:63:60: 32 | $ call errquit('hess_energyinit: theory not specified',555, | 2 ...... 63 | $ call errquit('hess_energyinit: rtdb_put failed',ithresh, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hess_energyinit.F:112:9: 59 | if (rtdb_get(rtdb, 'hessian:thresh', MT_DBL,1, ithresh)) then | 2 ...... 112 | & itol2e)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). hess_energyinit.F:118:9: 62 | if (.not. rtdb_put(rtdb, 'scf:thresh', MT_DBL, 1, ithresh)) | 2 ...... 118 | & itol2e))call errquit('hessint:rtdbput failed',1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling hess_check.F... hess_check.F:53:57: 37 | if (.not. rtdb_get(rtdb, 'dyall_mod_dir', MT_LOG, 1, dmd_rel)) | 2 ...... 53 | if (.not. rtdb_get(rtdb, 'scf:nopen', MT_INT, 1, nopen)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling nucdd_cont.F... Compiling nucdd_calc.F... Compiling oned_calc.F... Compiling xc_cpks_coeff.F... Compiling onedd_cont.F... Compiling xc_exit_index.F... Compiling get_wdens.F... Compiling xc_init_index.F... Compiling onedd_calc.F... Compiling xc_nucder_gen.F... xc_nucder_gen.F:26:43: 26 | , g_dens, nactive, oactive, hess, 0, 2) | 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-3 and scalar) xc_nucder_gen.F:53:38: 53 | , g_dens, nactive, oactive, 0d0, g_rhs, 3) | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-1 and scalar) Compiling hess_dipder.F... Compiling dft_3dacc.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/hessian/analytic/dft' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/hessian/analytic/dft' Compiling twodd_cont.F... Compiling twodd_coul_ex.F... Compiling shell_fock_build.F... shell_fock_build.F:851:26: 418 | call ga_igop(375,dorep_glob,1, '+') | 2 ...... 851 | call ga_igop(65331, cache_hitmiss, 12, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) shell_fock_build.F:1329:32: 626 | D d_ij,1,d_kl,1) | 2 ...... 1329 | call ycopy(nfock*idim, 0d0, 0,f_ij(1,1,j), 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling shell_fock_build_cam.F... Compiling hess_cphf.F... Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libhessian.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libhessian.a xc_d2expl.o xc_cpks_coeff.o xc_exit_index.o xc_init_index.o xc_nucder_gen.o dft_3dacc.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libhessian.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libhessian.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libhessian.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/hessian/analytic/dft' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/hessian/analytic/dft' hess_cphf.F:1212:61: 1209 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 1212 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling hess_pxfy.F... Compiling hess_sxsy.F... Compiling sx_dra.F... sx_dra.F:105:51: 41 | call nga_copy_patch('N', g_sx, loa, hia, g_temp, lob, hib) | 2 ...... 105 | call nga_copy_patch('N', g_temp, lob, hib, g_sx, loa, hia) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hess_wrt.F... Compiling hess_restart.F... Compiling hess_hssout.F... Compiling hess_print.F... Compiling hess_tidy.F... hess_tidy.F:77:59: 23 | * call errquit('hess_tidy: geom_destroy problem', 555, GEOM_ERR) | 2 ...... 77 | $ call errquit('hess_energytidy: rtdb_put failed',tthresh, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling uhf_fock_setup.F... Compiling uhf_fock_finish.F... Compiling print_dens_bit.F... Compiling shell_fock_build_ext.F... Compiling hess_utils.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/hessian/analytic' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/hessian/analytic' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libhessian.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libhessian.a hess_anal.o hess_init.o hess_energyinit.o hess_check.o nucdd_cont.o nucdd_calc.o oned_calc.o onedd_cont.o get_wdens.o onedd_calc.o hess_dipder.o twodd_cont.o twodd_coul_ex.o shell_fock_build.o shell_fock_build_cam.o hess_cphf.o hess_pxfy.o hess_sxsy.o sx_dra.o hess_wrt.o hess_restart.o hess_hssout.o hess_print.o hess_tidy.o uhf_fock_setup.o uhf_fock_finish.o print_dens_bit.o shell_fock_build_ext.o hess_utils.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libhessian.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libhessian.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/hessian/analytic' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/hessian/analytic' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/hessian' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libhessian.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libhessian.a hess_blas.o hess_input.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libhessian.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libhessian.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/hessian' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/hessian' Making libraries in selci make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/selci' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/selci' Compiling iprtri.F... Compiling prtri.F... Compiling selci_icopy.f... Compiling selci_yacobi.f... Compiling tred1.f... Compiling tqlrat.f... tqlrat.f:145:72: 145 | h = g * p / r | ^ Warning: 'b' may be used uninitialized [-Wmaybe-uninitialized] tqlrat.f:49:24: 49 | double precision b,c,f,g,h,p,r,s,t,selci_epslon,selci_pythag | ^ note: 'b' was declared here tqlrat.f:108:16: 108 | if (e2(m) .le. c) go to 120 | ^ Warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] tqlrat.f:49:26: 49 | double precision b,c,f,g,h,p,r,s,t,selci_epslon,selci_pythag | ^ note: 'c' was declared here Compiling loadw.F... Compiling rdhint.F... Compiling rdhcon.f... Compiling rdhwmt.f... Compiling rdconf.f... Compiling upkcon.F... Compiling prtcon.f... Compiling wrtcon.f... Compiling iodiff.F... Compiling bserch.F... Compiling readh.F... Compiling selci_renorm.f... Compiling selci_sread.f... Compiling selci_swrite.f... Compiling pkcon.F... Compiling wthcon.f... Compiling wtconf.f... Compiling vadd.f... Compiling idmin.f... Compiling isum.f... Compiling rd1.F... rd1.F:272:23: 189 | call ifill(nuw,0,u,1) | 2 ...... 272 | call ifill(nuw,0,u,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(2)/LOGICAL(1)). rd1.F:61:72: 61 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:61:72: 61 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to INTEGER(2) rd1.F:64:72: 64 | call selci_ulab8(buf(nipbuf+1),ibuf,2*num) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to LOGICAL(1) rd1.F:64:72: 64 | call selci_ulab8(buf(nipbuf+1),ibuf,2*num) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to LOGICAL(1) rd1.F:43:72: 43 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:43:72: 43 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to INTEGER(2) rd1.F:101:72: 101 | call selci_ulab16(buffer(lenbuf),info,4) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:101:72: 101 | call selci_ulab16(buffer(lenbuf),info,4) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to INTEGER(2) rd1.F:105:72: 105 | call selci_ulab8(buffer(n2eabf+1),ibuf,4*num) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to LOGICAL(1) rd1.F:105:72: 105 | call selci_ulab8(buffer(n2eabf+1),ibuf,4*num) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to LOGICAL(1) Compiling fcidim.F... Compiling axb.f... Compiling axbt.f... Compiling gettim.f... Compiling cputm.c... Compiling minit.F... Compiling mxmb.f... Compiling selci_check.f... Compiling davids.F... davids.F:185:26: 167 | call ga_brdcst(101, ci(1,1,nvec), mdtob(nroot*nci), 0) | 2 ...... 185 | call ga_brdcst(102, ndone, mitob(1), 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). davids.F:101:72: 101 | $ nroot, nci, noconf, nintpo, norbs, nbitpi, thresh) | 1 Warning: Type mismatch in argument 'indxci' at (1); passed REAL(8) to INTEGER(8) davids.F:101:72: 101 | $ nroot, nci, noconf, nintpo, norbs, nbitpi, thresh) | 1 Warning: Type mismatch in argument 'ioconf' at (1); passed REAL(8) to INTEGER(8) Compiling sigma.F... Compiling conf.F... conf.F:465:72: 465 | call selci_excit(irefo, q(ioccrf), q(ixstak)) | 1 Warning: Type mismatch in argument 'ioccrf' at (1); passed REAL(8) to INTEGER(8) conf.F:465:72: 465 | call selci_excit(irefo, q(ioccrf), q(ixstak)) | 1 Warning: Type mismatch in argument 'ixstak' at (1); passed REAL(8) to INTEGER(8) conf.F:171:54: 115 | if (.not. rtdb_get(rtdb,'selci:cckohn_ci',mt_log,1,cckohn_ci)) | 2 ...... 171 | if (.not. rtdb_get(rtdb,'scf:nopen', mt_int, 1, nopen)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). conf.F:56:72: 56 | call selci_start(rtdb, title, q(irefo)) | 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) conf.F:60:72: 60 | call selci_refgen(q, q(irefo),q(jrefo)) | 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) conf.F:60:72: 60 | call selci_refgen(q, q(irefo),q(jrefo)) | 1 Warning: Type mismatch in argument 'jrefo' at (1); passed REAL(8) to INTEGER(8) conf.F:65:72: 65 | call selci_chkci(q(irefo),q(indxci),wmatrx) | 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) conf.F:65:72: 65 | call selci_chkci(q(irefo),q(indxci),wmatrx) | 1 Warning: Type mismatch in argument 'indxci' at (1); passed REAL(8) to INTEGER(8) Compiling ci.F... Compiling initci.F... Compiling rdhead.F... Compiling load.F... Compiling loada.F... Compiling mkinta.F... Compiling pconls.F... Compiling makeh.F... Compiling mkindb.f... Compiling eij.F... Compiling eijeji.F... Compiling makehd.F... Compiling makef.F... Compiling loadg.F... Compiling getij.F... Compiling makehs.F... Compiling eirerj.F... Compiling loadab.F... Compiling couple.c... Compiling gtijkl.F... Compiling eijkj.F... Compiling makhdb.F... Compiling eijil.F... Compiling mknsneed.F... Compiling eijkl.F... Compiling putinb.F... Compiling inicij.F... Compiling ointer.F... Compiling oeq.f... Compiling selci_select.F... selci_select.F:45:24: 43 | call ga_brdcst(81,nconmx,mitob(1),0) | 2 44 | call ga_brdcst(9,iwpt,mitob(1),0) 45 | call ga_brdcst(10,repnuc,lencib,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). selci_select.F:122:25: 43 | call ga_brdcst(81,nconmx,mitob(1),0) | 2 ...... 122 | call ga_brdcst(191,map,mitob(norbs),0) ! sorted orbitals by occ | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling selci.F... selci.F:110:59: 76 | if (.not. rtdb_get(rtdb,'selci:cckohn_ci',mt_log,1,cckohn_ci)) | 2 ...... 110 | if (.not. rtdb_get(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). selci.F:186:64: 113 | if (.not. rtdb_put(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 2 ...... 186 | if (.not. rtdb_put(rtdb, 'selci:roots', mt_dbl, nroot, roots)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) selci.F:224:64: 113 | if (.not. rtdb_put(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 2 ...... 224 | if (.not. rtdb_put(rtdb, 'selci:roots', mt_dbl, nroot, roots)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) selci.F:228:29: 113 | if (.not. rtdb_put(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 2 ...... 228 | $ mt_dbl, nroot, rootspt)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ptidy.F... ptidy.F:46:22: 43 | call snd(21, noconf-ncold, mitob(1), node0, isync) | 2 ...... 46 | call snd(23, ept, mdtob(nroot), node0, isync) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ptidy.F:49:22: 43 | call snd(21, noconf-ncold, mitob(1), node0, isync) | 2 ...... 49 | call snd(26, irange, mitob(21), node0, isync) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ptidy.F:74:25: 64 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 74 | call rcv(23, eptn, mdtob(nroot), len, islave, node, isync) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ptidy.F:78:25: 64 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 78 | call rcv(26, irangen, mitob(21), len, islave, node, isync) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling anal.F... Compiling mkindx.F... Compiling slect.F... Compiling tester.F... Compiling mkdele.F... Compiling mkvc.F... Compiling e0mp2.F... Compiling mpdele.F... Compiling stool.F... stool.F:74:22: 71 | call snd(21, (noconf-ncold), mitob(1), node0, isync) | 2 ...... 74 | call snd(23, ept, mdtob(nroot), node0, isync) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). stool.F:77:22: 71 | call snd(21, (noconf-ncold), mitob(1), node0, isync) | 2 ...... 77 | call snd(26, irange, mitob(21), node0, isync) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) stool.F:100:25: 90 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 100 | call rcv(23, eptn, mdtob(nroot), len, islave, node, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). stool.F:106:25: 90 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 106 | call rcv(26, irangen, mitob(nrange), len, islave, node, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling restk.F... Compiling restin.F... Compiling orbanal.F... Compiling selci_hpp.F... Compiling mxma.f... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/selci' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/selci' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libselci.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libselci.a iprtri.o prtri.o selci_icopy.o selci_yacobi.o tred1.o tqlrat.o loadw.o rdhint.o rdhcon.o rdhwmt.o rdconf.o upkcon.o prtcon.o wrtcon.o iodiff.o bserch.o readh.o selci_renorm.o selci_sread.o selci_swrite.o pkcon.o wthcon.o wtconf.o vadd.o idmin.o isum.o rd1.o fcidim.o axb.o axbt.o gettim.o cputm.o minit.o mxmb.o selci_check.o davids.o sigma.o conf.o ci.o initci.o rdhead.o load.o loada.o mkinta.o pconls.o makeh.o mkindb.o eij.o eijeji.o makehd.o makef.o loadg.o getij.o makehs.o eirerj.o loadab.o couple.o gtijkl.o eijkj.o makhdb.o eijil.o mknsneed.o eijkl.o putinb.o inicij.o ointer.o oeq.o selci_select.o selci.o ptidy.o anal.o mkindx.o slect.o tester.o mkdele.o mkvc.o e0mp2.o mpdele.o stool.o restk.o restin.o orbanal.o selci_hpp.o mxma.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libselci.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libselci.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libselci.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/selci' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/selci' Making libraries in dplot make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dplot' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dplot' Compiling dplot.F... dplot.F:107:52: 87 | & lgaussian)) then | 2 ...... 107 | If (.not.rtdb_get(rtdb,'dplot:iroot',mt_int,1,iroot)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling get_grid.F... dplot.F:448:72: 448 | Call ycopy(3*nAtom,Dbl_mb(k_xyz),1,Dbl_mb(k_Grid+3*Atom_Off),1) | ^ Warning: 'atom_off' may be used uninitialized [-Wmaybe-uninitialized] dplot.F:44:61: 44 | Integer nGrid,k_Grid,l_Grid,nPoint,nAtom,iAtom,Atom_Off | ^ note: 'atom_off' was declared here Compiling create_contour.F... Compiling dmat.F... Compiling errmem.F... Compiling get_dens.F... Compiling dplot_input.F... dplot_input.F:299:58: 295 | & lgaussian)) call errquit('dpinput:rtdbwr failed',11,0) | 2 ...... 299 | If (.not.rtdb_put(rtdb,'dplot:Ext_From_To',mt_dbl,6,Ext_From_To)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling get_charges.F... Compiling dplot_defgrid.F... Compiling dplot_dump.F... Compiling dplot_dos.F... dplot_dos.F:86:11: 84 | & 1,nstep)) nstep=1000 | 2 85 | if (.not.rtdb_get(rtdb,'dplot:dos_sigma',mt_dbl, 86 | & 1,sigma)) sigma=0.025d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ao_rdm_read.F... ao_rdm_read.F:123:72: 123 | return | ^ Warning: '__result_ao_rdm_read' may be used uninitialized [-Wmaybe-uninitialized] ao_rdm_read.F:1:34: 1 | logical function ao_rdm_read(filename,basis, g_dens) | ^ note: '__result_ao_rdm_read' was declared here Compiling get_transden.F... get_transden.F:104:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 104 | call ga_brdcst(Msg_Vec_NMO+MSGINT, tda, logisize, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). get_transden.F:107:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 107 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nocc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:108:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 108 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nmo, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:109:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 109 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:110:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 110 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfv, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:111:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 111 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nov, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling get_diffden.F... get_diffden.F:104:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 104 | call ga_brdcst(Msg_Vec_NMO+MSGINT, tda, logisize, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). get_diffden.F:107:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 107 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nocc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:108:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 108 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nmo, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:109:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 109 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:110:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 110 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfv, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:111:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 111 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nov, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dplot' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dplot' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdplot.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdplot.a dplot.o get_grid.o create_contour.o dmat.o errmem.o get_dens.o dplot_input.o get_charges.o dplot_defgrid.o dplot_dump.o dplot_dos.o ao_rdm_read.o get_transden.o get_diffden.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdplot.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdplot.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdplot.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dplot' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dplot' Making libraries in mp2_grad make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mp2_grad' Compiling mp2_grad.F... mp2_grad.F:44:54: 37 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 44 | if (.not. rtdb_get(rtdb,'dft:e_conv',mt_dbl,1,threshscf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mp2_energy.F... mp2_energy.F:153:11: 96 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 153 | $ nva_frozen)) nva_frozen = 0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). mp2_energy.F:645:47: 372 | $ noa_frozen,1) | 2 ...... 645 | call ecce_print1('total energy', mt_dbl, e_total, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). mp2_energy.F:647:63: 148 | $ noa_frozen)) | 2 ...... 647 | if(.not. rtdb_put(rtdb,'mp2:correlation energy',mt_dbl,1,e2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling mp2_grad_doit.F... mp2_grad_doit.F:179:51: 143 | if(rtdb_get(rtdb,'mp2:scratchdisk',mt_dbl,1,avail_file)) then | 2 ...... 179 | if(.not.rtdb_get(rtdb,'mp2:npasses',mt_int,1,npass_first)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling mp2_make_cphf_rhs.F... Compiling mp2_make_tot_dens.F... Compiling mp2_make_tot_wdens.F... Compiling mp2_make_dip_mom.F... Compiling mp2_pstat.F... Compiling mp2_input.F... mp2_input.F:126:56: 48 | if (.not. rtdb_put(rtdb, 'mp2:aotol2e', mt_dbl, 1, aotol2e)) | 2 ...... 126 | if (.not. rtdb_put(rtdb, 'mp2:scs', mt_log, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling mp2_make_piy.F... Compiling mp2_make_nos.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mp2_grad' Compiling mp2_back_transform.F... mp2_back_transform.F:377:55: 374 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 377 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mp2_read_tiajb.F... Compiling mp2_pijab_uhf.F... mp2_pijab_uhf.F:109:55: 106 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 109 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mp2_wijab_uhf.F... mp2_wijab_uhf.F:102:55: 99 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 102 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mp2_lai_uhf.F... mp2_lai_uhf.F:84:55: 81 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 84 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mp2_lai_fock_uhf.F... Compiling mp2_memory.F... mp2_memory.F:242:24: 79 | call ga_igop(543, nnbf_sparse, 1, '+') | 2 ...... 242 | call ga_igop(542, max_file, 1, 'max') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling mp2_make_tuhf.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mp2_grad' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mp2_grad' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libmp2.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libmp2.a mp2_grad.o mp2_energy.o mp2_grad_doit.o mp2_make_cphf_rhs.o mp2_make_tot_dens.o mp2_make_tot_wdens.o mp2_make_dip_mom.o mp2_pstat.o mp2_input.o mp2_make_piy.o mp2_make_nos.o mp2_back_transform.o mp2_read_tiajb.o mp2_pijab_uhf.o mp2_wijab_uhf.o mp2_lai_uhf.o mp2_lai_fock_uhf.o mp2_memory.o mp2_make_tuhf.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libmp2.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libmp2.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libmp2.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mp2_grad' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mp2_grad' Making libraries in qhop make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qhop' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qhop' Compiling qhop_setup.F... qhop_setup.F:357:39-48: 357 | read(lfnhdb,1005) (zpef(numpar+1,i),i=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_setup.F:434:32-41: 434 | write(lfntop,1005)(zpef(i,m),m=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) Compiling qhop_asite.F... Compiling qhop_dsite.F... Compiling qhop_prob.F... Compiling qhop_init.F... qhop_init.F:185:35-44: 185 | read(lfntop,1005) (zpef(ipar,i),i=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_init.F:197:35-44: 197 | write(lfnout,1005)(zpef(ipar,i),i=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_init.F:88:28: 45 | call ga_brdcst(hop_01,idata,9*numbi,0) | 2 ...... 88 | call ga_brdcst(hop_06,dbl_mb(i_racs),2*mxar*numbd,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qhop_pindex.F... Compiling qhop_final.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qhop' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qhop' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libqhop.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libqhop.a qhop_setup.o qhop_asite.o qhop_dsite.o qhop_prob.o qhop_init.o qhop_pindex.o qhop_final.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libqhop.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libqhop.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libqhop.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qhop' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qhop' Making libraries in property make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/property' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/property' Compiling hnd_efgmap.F... hnd_efgmap.F:115:15: 99 | if (rtdb_get(rtdb,'cosmo:nefc',mt_int,1,ncosbq).and.(ncosbq.gt.0)) | 2 ...... 115 | & dbl_mb(k_efcc))) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hnd_efgmap.F:250:49: 248 | call ecce_print1('EFG eigenvalues',MT_DBL,eig,3) | 2 249 | call ecce_print2('EFG eigenvectors',MT_DBL,vec,3,3,3) 250 | call ecce_print1('EFG asymmetry',MT_DBL,eta,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_efgmap.F:39:19: 39 | integer i_cbq | ^ Warning: 'i_cbq' may be used uninitialized [-Wmaybe-uninitialized] hnd_efgmap.F:40:19: 40 | integer i_qbq | ^ Warning: 'i_qbq' may be used uninitialized [-Wmaybe-uninitialized] Compiling hnd_efgmap_z4.F... Compiling hnd_elfmap.F... hnd_elfmap.F:140:35: 57 | if(.not.rtdb_get(rtdb,'bqforceprint',mt_log,1,bqprint)) | 2 ...... 140 | > 3*nprp,dbl_mb(i_prp_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). hnd_elfmap.F:275:44: 274 | call ecce_print1('EField components',MT_DBL,elf,3) | 2 275 | call ecce_print1('EField',MT_DBL,elfld,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_efgmap_z4.F:941:33: 780 | call ga_get(g_Nuc,1,1,ind,ind,valNuc,1) | 2 ...... 941 | call ga_get(g_a,i,i,i,i,val,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_efgmap_z4.F:947:33: 780 | call ga_get(g_Nuc,1,1,ind,ind,valNuc,1) | 2 ...... 947 | call ga_get(g_a,i,i,j,j,val,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_efgmap_z4.F:1067:44: 660 | if (.not. rtdb_get(rtdb, 'dft:ipol',mt_int,1,ipolmunu)) | 2 ...... 1067 | & mt_int,nat_slc,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_efgmap_z4.F:316:15: 316 | & dbl_mb(k_efcc))) call | 1 ...... 660 | if (.not. rtdb_get(rtdb, 'dft:ipol',mt_int,1,ipolmunu)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hnd_efgmap_z4.F:478:49: 476 | call ecce_print1('EFG eigenvalues',MT_DBL,eig,3) | 2 477 | call ecce_print2('EFG eigenvectors',MT_DBL,vec,3,3,3) 478 | call ecce_print1('EFG asymmetry',MT_DBL,eta,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling hnd_elpmap.F... hnd_elpmap.F:147:35: 125 | if(.not.rtdb_get(rtdb,'prop:cubefile',mt_log,1,ocube)) | 2 ...... 147 | > 3*nprp,dbl_mb(i_prp_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). hnd_efgmap_z4.F:50:28: 50 | integer bq_ncent,i_cbq,i_qbq | ^ Warning: 'i_cbq' may be used uninitialized [-Wmaybe-uninitialized] hnd_efgmap_z4.F:50:34: 50 | integer bq_ncent,i_cbq,i_qbq | ^ Warning: 'i_qbq' may be used uninitialized [-Wmaybe-uninitialized] Compiling hnd_eldmap.F... Compiling hnd_elpiso.F... Compiling hnd_spind.F... hnd_spind.F:214:59: 136 | call ecce_print1('fermi contact',MT_DBL,aiso,1) | 2 ...... 214 | call ecce_print1('spin-dipole eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hnd_elfcon.F... Compiling hnd_elfcon_symm.F... Compiling hnd_mtpcon.F... Compiling hnd_mtpole.F... hnd_mtpole.F:485:60: 481 | if (.not. rtdb_get(rtdb, 'prop:center', mt_int, 1, i_expan)) | 2 ...... 485 | if (.not. rtdb_get(rtdb, 'prop:center_val',mt_dbl,3,cm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling prop_input.F... hnd_mtpole.F:938:72: 938 | do i = 1, ndens | ^ Warning: 'ndens' is used uninitialized [-Wuninitialized] hnd_mtpole.F:783:29: 783 | integer g_dens(3),ndens,nclosed(2),nopen(2),nvirt(2) | ^ note: 'ndens' was declared here prop_input.F:886:43: 868 | if(.not.rtdb_put(rtdb,tag,mt_log,1,.true.)) | 2 ...... 886 | if(.not.rtdb_put(rtdb,tag,mt_dbl,1,f3)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). prop_input.F:419:26: 419 | if (inp_f(iso)) then | 1 ...... 876 | if(.not.inp_f(f3(i))) exit | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling prop.F... prop.F:59:48: 48 | if (.not.rtdb_get(rtdb,'prop:do_fockbuild',MT_LOG,1,do_fockbuild)) | 2 ...... 59 | if (rtdb_get(rtdb,'prop:nbofile',MT_INT,1,nbofile)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling prp.F... Compiling hnd_mulken.F... Compiling wnbofile.F... Compiling wefgfile.F... Compiling whypfile.F... Compiling wgshiftfile.F... whypfile.F:302:72: 302 | open (lfn, file=fname_hyp, status='unknown') | ^ Warning: 'lfn' may be used uninitialized [-Wmaybe-uninitialized] whypfile.F:82:17: 82 | integer lfn | ^ note: 'lfn' was declared here Compiling wshldfile.F... wgshiftfile.F:316:72: 316 | open (lfn, file=fname_gshift, status='unknown') | ^ Warning: 'lfn' may be used uninitialized [-Wmaybe-uninitialized] wgshiftfile.F:85:17: 85 | integer lfn | ^ note: 'lfn' was declared here wshldfile.F:296:72: 296 | open (lfn, file=fname_shield, status='unknown') | ^ Warning: 'lfn' may be used uninitialized [-Wmaybe-uninitialized] wshldfile.F:73:17: 73 | integer lfn | ^ note: 'lfn' was declared here Compiling hnd_prp_get_dens.F... Compiling hnd_prp_vec_read.F... Compiling hnd_prop_dens_make.F... Compiling hnd_property.F... hnd_property.F:96:50: 83 | if (.not. rtdb_get(rtdb, 'prop:nocheck',mt_log, 1, nocheck)) then | 2 ...... 96 | status=rtdb_get(rtdb,'prop:gshift',MT_INT,1,gshift) ! FA-09-16-10 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). hnd_property.F:188:13: 182 | & job_grid_acc))call errquit('hnd_property:rtdbput failed', | 2 ...... 188 | & .false.)) call errquit('hnd_property:rtdbput failed',2, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling giaofock.F... Compiling hnd_giaox.F... hnd_giaox.F:287:64: 284 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 287 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). hnd_giaox.F:832:60: 830 | call ecce_print1('shielding isotropic',MT_DBL,isotr,1) | 2 831 | call ecce_print1('shielding anisotropy',MT_DBL,aniso,1) 832 | call ecce_print1('shielding eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) giaofock.F:930:72: 930 | g_dens=g_dens0 | ^ Warning: 'g_dens0' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:776:31: 776 | integer g_densrep,g_dens0,g_fockrep,g_fock0,dorep_glob | ^ note: 'g_dens0' was declared here Compiling hnd_hyperfine_zora.F... giaofock.F:930:72: 930 | g_dens=g_dens0 | ^ Warning: 'g_dens0' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:776:31: 776 | integer g_densrep,g_dens0,g_fockrep,g_fock0,dorep_glob | ^ note: 'g_dens0' was declared here giaofock.F:151:72: 151 | cam_beta1 =factor_cam*cam_beta | ^ Warning: 'factor_cam' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:42:33: 42 | double precision factor_cam,cam_alpha1,cam_beta1 | ^ note: 'factor_cam' was declared here giaofock.F:127:72: 127 | $ ngint, dbl_mb(k_eri), tol2e, nshell, blen, 1.d0, 0.d0) ! get full coulomb | ^ Warning: 'ntot' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:23:23: 23 | integer npol,ntot | ^ note: 'ntot' was declared here giaofock.F:503:72: 503 | cam_beta1 =factor_cam*cam_beta | ^ Warning: 'factor_cam' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:388:44: 388 | & cam_alpha1,cam_beta1,factor_cam | ^ note: 'factor_cam' was declared here giaofock.F:478:72: 478 | $ ngint, dbl_mb(k_eri), tol2e, nshell, blen, 1.d0, 0.d0) ! get full coulomb | ^ Warning: 'ntot' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:366:23: 366 | integer npol,ntot | ^ note: 'ntot' was declared here Compiling hnd_gshift_zora.F... hnd_hyperfine_zora.F:307:32: 121 | status=rtdb_get(rtdb,'prop:hypfile',mt_int,1,hypfile) ! for NLMO analysis | 2 ...... 307 | & mt_log,1,skip_cphf_ev_hyp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_hyperfine_zora.F:324:55: 230 | & MT_INT, 1, nocc(1)-nocc(2))) | 2 ...... 324 | if (.not. rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.false.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_hyperfine_zora.F:591:60: 589 | call ecce_print1('hyperfine isotropic',MT_DBL,isotr,1) | 2 590 | call ecce_print1('hyperfine anisotropy',MT_DBL,aniso,1) 591 | call ecce_print1('hyperfine eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hnd_giaox_zora.F... hnd_hyperfine_zora.F:213:10: 213 | if (ac_occ(1) .ne. ac_occ(2)) then | ^ Warning: 'ac_occ' may be used uninitialized [-Wmaybe-uninitialized] hnd_hyperfine_zora.F:49:46: 49 | double precision val1,coeffpol,ac_occ(2),small,trace, | ^ note: 'ac_occ' declared here hnd_hyperfine_zora.F:213:10: 213 | if (ac_occ(1) .ne. ac_occ(2)) then | ^ Warning: 'ac_occ' may be used uninitialized [-Wmaybe-uninitialized] hnd_hyperfine_zora.F:49:46: 49 | double precision val1,coeffpol,ac_occ(2),small,trace, | ^ note: 'ac_occ' declared here hnd_hyperfine_zora.F:569:43: 569 | & skew*conv2MHz, | ^ Warning: 'conv2mhz' may be used uninitialized [-Wmaybe-uninitialized] hnd_hyperfine_zora.F:37:52: 37 | double precision a(6),axs(3,3),eig(3),conv2MHz | ^ note: 'conv2mhz' was declared here hnd_giaox_zora.F:352:60: 256 | & MT_INT, 1, nocc(1)-nocc(2))) | 2 ...... 352 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_giaox_zora.F:681:32: 224 | if (.not. rtdb_get(rtdb, 'dft:ipol', mt_int, 1, npol)) then | 2 ...... 681 | & mt_log,1,skip_cphf_ev_shield)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_giaox_zora.F:1072:61: 1070 | call ecce_print1('shielding isotropic' ,MT_DBL,isotr,1) | 2 1071 | call ecce_print1('shielding anisotropy' ,MT_DBL,aniso,1) 1072 | call ecce_print1('shielding eigenvalues' ,MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_gshift_zora.F:2750:57: 2744 | & mt_log,1,skip_csAOev)) | 2 ...... 2750 | status=rtdb_get(rtdb,'prop:shldfile' ,mt_int,1,shldfile) ! for NLMO analysis | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). hnd_gshift_zora.F:4308:19: 3123 | & vectors, ! in: MOs | 2 ...... 4308 | & g_dens))! in: dummy not used here | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_gshift_zora.F:4337:18: 3157 | & vectors, ! in: MOs | 2 ...... 4337 | & g_sdens))! in: dummy not used here | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_gshift_zora.F:2151:24: 2151 | call ga_print(vectors) | 1 ...... 5992 | call ga_print(g_munuEPRdia) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_gshift_zora.F:353:60: 267 | & MT_INT, 1, nocc(1)-nocc(2))) | 2 ...... 353 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_gshift_zora.F:1141:59: 1139 | call ecce_print1('g-shifts isotropic',MT_DBL,isotr,1) | 2 1140 | call ecce_print1('g-shifts anisotropy',MT_DBL,aniso,1) 1141 | call ecce_print1('g-shifts eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling int_giao_1ega.F... int_giao_1ega.F:155:10: 155 | if (type.lt.9) then | ^ Warning: 'type' may be used uninitialized [-Wmaybe-uninitialized] int_giao_1ega.F:42:18: 42 | integer type | ^ note: 'type' declared here int_giao_1ega.F:171:72: 171 | max1e = max1e*nblocks | ^ Warning: 'nblocks' may be used uninitialized [-Wmaybe-uninitialized] int_giao_1ega.F:45:21: 45 | integer nblocks | ^ note: 'nblocks' was declared here Compiling giao_aotomo.F... Compiling hnd_diag.F... hnd_gshift_zora.F:5203:72: 5203 | par_arr(8,iy,ix)=val_ov_1e*coeffpol*ppt*(-0.25d0) | ^ Warning: 'val_ov_1e' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:5075:32: 5075 | & val_ov_1e,val_ov_eSji | ^ note: 'val_ov_1e' was declared here hnd_gshift_zora.F:5200:72: 5200 | par_arr(5,iy,ix)=val_ov_Coul*coeffpol*ppt*(-0.25d0) | ^ Warning: 'val_ov_coul' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:5074:34: 5074 | double precision val_ov_Coul,val_ov_Exch,val_ov_noJK, | ^ note: 'val_ov_coul' was declared here hnd_gshift_zora.F:5204:72: 5204 | par_arr(9,iy,ix)=val_ov_eSji*coeffpol*ppt*(-0.25d0) | ^ Warning: 'val_ov_esji' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:5075:44: 5075 | & val_ov_1e,val_ov_eSji | ^ note: 'val_ov_esji' was declared here hnd_gshift_zora.F:5201:72: 5201 | par_arr(6,iy,ix)=val_ov_Exch*coeffpol*ppt*(-0.25d0) | ^ Warning: 'val_ov_exch' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:5074:46: 5074 | double precision val_ov_Coul,val_ov_Exch,val_ov_noJK, | ^ note: 'val_ov_exch' was declared here hnd_gshift_zora.F:5202:72: 5202 | par_arr(7,iy,ix)=val_ov_noJK*coeffpol*ppt*(-0.25d0) | ^ Warning: 'val_ov_nojk' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:5074:58: 5074 | double precision val_ov_Coul,val_ov_Exch,val_ov_noJK, | ^ note: 'val_ov_nojk' was declared here Compiling hnd_spinspin.F... hnd_gshift_zora.F:2125:72: 2125 | & natoms,oskel) | ^ Warning: 'k_xyz' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:2058:25: 2058 | & l_xyz,k_xyz ! dummy variables | ^ note: 'k_xyz' was declared here hnd_gshift_zora.F:4939:72: 4939 | & natoms,oskel) | ^ Warning: 'k_xyz' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:4881:25: 4881 | & l_xyz,k_xyz ! dummy variables | ^ note: 'k_xyz' was declared here hnd_spinspin.F:299:54: 291 | call ecce_print1('index atom one',MT_INT,i,1) | 2 ...... 299 | call ecce_print1('spinspin isotropic',MT_DBL,isotr,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling hnd_sdfc.F... Compiling hnd_psoten.F... Compiling hnd_dsoten.F... Compiling prop_atom.F... Compiling aoresponse_driver.F... aoresponse_driver.F:215:21: 179 | if (.not.rtdb_get(rtdb, 'aoresponse:velocity', mt_int, 1,ntmp)) | 2 ...... 215 | & mt_dbl, 1,gamwidth)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). aoresponse_driver.F:942:26: 704 | if (.not.ga_destroy(g_temp)) call | 2 ...... 942 | if (.not.ga_destroy(g_vectors)) call | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling aoresponse_driver_new.F... aoresponse_driver_new.F:256:21: 215 | if (.not.rtdb_get(rtdb, 'aoresponse:velocity', mt_int, 1,ntmp)) | 2 ...... 256 | & mt_dbl, 1,gamwidth)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling int_mpole_1ega.F... Compiling aoresponse.F... aoresponse.F:636:58: 624 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.false.)) call | 2 ...... 636 | if (.not. rtdb_put(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling aoresponse_beta.F... aoresponse_beta.F:568:58: 560 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.true.)) call | 2 ...... 568 | if (.not. rtdb_put(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling aor_write_roadata.F... Compiling aoresponse_beta2.F... aoresponse_beta2.F:452:58: 444 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.true.)) call | 2 ...... 452 | if (.not. rtdb_put(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling fiao_f1_movecs.F... fiao_f1_movecs.F:333:56: 290 | & mt_int, 1,index4cphf)) call | 2 ...... 333 | if (.not. rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.false.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling aor_r1_tensor.F... aor_r1_tensor.F:391:72: 391 | & g_temp) ! in : scratch GA array | ^ Warning: 'coeffim' may be used uninitialized [-Wmaybe-uninitialized] aor_r1_tensor.F:128:52: 128 | double precision ga_trace_diag,coeffre,coeffim | ^ note: 'coeffim' was declared here Compiling aor_r1_tensor_giao.F... Compiling aor_r1_beta.F... Compiling aor_r1_beta_anl.F... Compiling giao_b1_movecs.F... giao_b1_movecs.F:355:26: 217 | & mt_int, 1,ndata)) call | 2 ...... 355 | & mt_log, 1,.true.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling fiao_b1_movecs.F... fiao_b1_movecs.F:217:26: 159 | & mt_int, 1,ndata)) call | 2 ...... 217 | & mt_log, 1,.true.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling get_vecB1.F... Compiling get_vecF1.F... Compiling aor_get_fiaoints.F... Compiling aor_get_giaoints.F... aor_get_giaoints.F:269:61: 264 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 269 | if (.not. rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,ifld)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling aoresponse_giao_rhs.F... aoresponse_giao_rhs.F:294:64: 291 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 294 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling get_alfaorbeta_reim.F... Compiling CalcPerturbedTDPmat1.F... get_alfaorbeta_reim.F:405:72: 405 | ahi(3) = ind1 | ^ Warning: 'ind1' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:367:25: 367 | & caseAO,ind1,ind2 | ^ note: 'ind1' was declared here get_alfaorbeta_reim.F:411:72: 411 | bhi(3) = ind2 | ^ Warning: 'ind2' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:367:30: 367 | & caseAO,ind1,ind2 | ^ note: 'ind2' was declared here get_alfaorbeta_reim.F:241:72: 241 | ahi(3) = ind1 | ^ Warning: 'ind1' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:206:25: 206 | & caseAO,ind1,ind2 | ^ note: 'ind1' was declared here get_alfaorbeta_reim.F:247:72: 247 | bhi(3) = ind2 | ^ Warning: 'ind2' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:206:30: 206 | & caseAO,ind1,ind2 | ^ note: 'ind2' was declared here Compiling CalcPerturbedTDPmat1_opt.F... Compiling localization_driver.F... localization_driver.F:422:53: 271 | $ 1.0d0, g_smat, g_movecs(1), 0.0d0, g_sc) | 2 ...... 422 | call ga_dgemm('t','n',nmo,nmo,nbf, 1.0d0, g_movecs, g_uc(i), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localization_driver.F:468:53: 271 | $ 1.0d0, g_smat, g_movecs(1), 0.0d0, g_sc) | 2 ...... 468 | call ga_dgemm('t','n',nmo,nmo,nbf, 1.0d0, g_movecs,g_uc(i), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ibo_localization.F... Compiling hnd_vec_write.F... ibo_localization.F:638:9: 638 | if(noff+n1 > nbf) call errquit (pname// | ^ Warning: 'noff' may be used uninitialized [-Wmaybe-uninitialized] ibo_localization.F:66:33: 66 | integer n1, n2, nsing, noff | ^ note: 'noff' declared here ibo_localization.F:638:9: 638 | if(noff+n1 > nbf) call errquit (pname// | ^ Warning: 'n1' may be used uninitialized [-Wmaybe-uninitialized] ibo_localization.F:66:16: 66 | integer n1, n2, nsing, noff | ^ note: 'n1' declared here ibo_localization.F:648:72: 648 | do jmo = 1,n2 | ^ Warning: 'n2' may be used uninitialized [-Wmaybe-uninitialized] ibo_localization.F:66:20: 66 | integer n1, n2, nsing, noff | ^ note: 'n2' declared here Compiling giao_b1_movecs_tools.F... Compiling aor_r1_beta_anl_tools.F... giao_b1_movecs_tools.F:78:60: 78 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .false.)) | 1 ...... 758 | $ calc_type_save)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling task_raman.F... Compiling raman_input.F... raman_input.F:93:58: 71 | if (.not.rtdb_put(rtdb, 'prop:newaoresp', mt_int, 1,1)) | 2 ...... 93 | if (.not.rtdb_put(rtdb,'raman:hyperraman',mt_log,1,hyperraman)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). task_raman.F:525:51: 487 | & rmmodes*4, rminfo(1,1))) | 2 ...... 525 | status=rtdb_get(rtdb,'raman:aores0',mt_log,1,ramanspc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_raman.F:1268:14: 718 | if (.not. rtdb_put(rtdb,'raman:aores1',mt_int, 1,ii)) call ! FA-06-18-12 | 2 ...... 1268 | $ gamwidth_in)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling raman.F... raman.F:576:61: 375 | if (.not. rtdb_get(rtdb, 'raman:numpts ', mt_int,1 , numpts)) | 2 ...... 576 | if (.not. rtdb_get(rtdb, 'raman:alfare ', mt_dbl, 9, alfare)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). raman.F:1160:31: 741 | 10 call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) ! Propagate status | 2 ...... 1160 | call ga_brdcst(msg_frq,dbl_mb(k_scr), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling waimfile.F... waimfile.F:618:61: 335 | if (.not. rtdb_get(rtdb, 'prop:nowfx',mt_log, 1, nowfx)) | 2 ...... 618 | $ , MT_DBL,1,etot)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling hnd_eldmap_grid.F... hnd_eldmap_grid.F:111:35: 94 | if(.not.rtdb_get(rtdb,'prop:cubefile',mt_log,1,ocube)) | 2 ...... 111 | > 3*nprp,dbl_mb(i_prp_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling prop_moldenfile.F... Compiling prop_grid.F... prop_grid.F:38:55: 27 | if(.not.rtdb_get(rtdb,'prop:grid:pad',MT_DBL,3,pad)) then | 2 ...... 38 | if(.not.rtdb_get(rtdb,'prop:grid:ngrid',MT_INT,3,ngrid)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling prop_polfromsos.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/property' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/property' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libproperty.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libproperty.a hnd_efgmap.o hnd_efgmap_z4.o hnd_elfmap.o hnd_elpmap.o hnd_eldmap.o hnd_elpiso.o hnd_spind.o hnd_elfcon.o hnd_elfcon_symm.o hnd_mtpcon.o hnd_mtpole.o prop_input.o prop.o prp.o hnd_mulken.o wnbofile.o wefgfile.o whypfile.o wgshiftfile.o wshldfile.o hnd_prp_get_dens.o hnd_prp_vec_read.o hnd_prop_dens_make.o hnd_property.o giaofock.o hnd_giaox.o hnd_hyperfine_zora.o hnd_gshift_zora.o hnd_giaox_zora.o int_giao_1ega.o giao_aotomo.o hnd_diag.o hnd_spinspin.o hnd_sdfc.o hnd_psoten.o hnd_dsoten.o prop_atom.o aoresponse_driver.o aoresponse_driver_new.o int_mpole_1ega.o aoresponse.o aoresponse_beta.o aor_write_roadata.o aoresponse_beta2.o fiao_f1_movecs.o aor_r1_tensor.o aor_r1_tensor_giao.o aor_r1_beta.o aor_r1_beta_anl.o giao_b1_movecs.o fiao_b1_movecs.o get_vecB1.o get_vecF1.o aor_get_fiaoints.o aor_get_giaoints.o aoresponse_giao_rhs.o get_alfaorbeta_reim.o CalcPerturbedTDPmat1.o CalcPerturbedTDPmat1_opt.o localization_driver.o ibo_localization.o hnd_vec_write.o giao_b1_movecs_tools.o aor_r1_beta_anl_tools.o task_raman.o raman_input.o raman.o waimfile.o hnd_eldmap_grid.o prop_moldenfile.o prop_grid.o prop_polfromsos.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libproperty.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libproperty.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libproperty.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/property' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/property' Making libraries in solvation make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/solvation' Compiling mnsol_mem.F... Compiling mnsol_interface.F... mnsol_interface.F:62:58: 54 | if (.not. rtdb_put(rtdb,'cosmo:gcds',mt_dbl,1,gcds)) | 2 ...... 62 | if (.not. rtdb_put(rtdb, 'cosmo:dcds', mt_dbl,3*nat,dcds)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling mnsol.F... mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'nc' at (1); passed REAL(8) to INTEGER(8) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'lab' at (1); passed REAL(8) to INTEGER(8) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'ncnct' at (1); passed REAL(8) to INTEGER(8) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'conect' at (1); passed REAL(8) to LOGICAL(8) mnsol.F:1436:31: 1436 | IF (LGRX) CALL SCOPYMN(3,0D0,0,DAREA(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1562:42: 1562 | IF (LGRX) CALL SCOPYMN(3*(NCROSS+1),0D0,0,DCASLC(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1785:43: 1785 | IF (LGRX) CALL SCOPYMN (3*(NCROSS+1),0D0,0,DCAPLY(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1788:43: 1788 | IF (LGRX) CALL SCOPYMN (3*(NCROSS+1),0D0,0,DCAODD(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:56:19: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'c' at (1) (rank-2 and scalar) mnsol.F:56:21: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'dcds' at (1) (rank-2 and scalar) mnsol.F:56:26: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'ian' at (1) (rank-1 and scalar) mnsol.F:56:52: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'x' at (1) (rank-1 and scalar) Compiling solv_data.F... Compiling cosmo_smd_output.F... Compiling cosmo_vem_output.F... Compiling cosmo_lebedev.F... Compiling cosmo_fibonacci.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/solvation' Compiling cosmo_input.F... cosmo_input.F:181:51: 177 | $ rtdb_put(rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 181 | $ rtdb_put(rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cosmo_initialize.F... cosmo_initialize.F:165:34: 163 | call ga_brdcst(msg_cosmo0,nmap, | 2 164 | > ma_sizeof(mt_int,1,mt_byte),0) 165 | call ga_brdcst(msg_cosmo1,crad, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cosmo_initialize.F:278:41: 255 | if(.not.rtdb_get(rtdb,'cosmo:dielec',mt_dbl,1,dielec)) | 2 ...... 278 | O 'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). cosmo_initialize.F:390:52: 171 | if(.not.rtdb_put(rtdb,'cosmo:crad',mt_dbl, nmap,crad(1))) | 2 ...... 390 | if (.not. rtdb_put(rtdb,'cosmo:icds',mt_int,1,icds)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cosmo_initialize.F:475:54: 255 | if(.not.rtdb_get(rtdb,'cosmo:dielec',mt_dbl,1,dielec)) | 2 ...... 475 | $ rtdb_get(rtdb,'cosmo:pol_cosmo_vem',mt_dbl,2,pol_cosmo_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cosmo_tidy.F... Compiling cosmo_def_radii.F... cosmo_def_radii.F:271:52: 265 | $ rtdb_get(rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 271 | $ status = rtdb_get(rtdb,'cosmo:sola',mt_dbl,1,sola) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling cosmo_charges.F... cosmo_charges.F:102:55: 83 | if(.not.rtdb_get(rtdb,'cosmo:nefc',mt_int,1 ,nefc)) | 2 ...... 102 | if(.not.rtdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,dbl_mb(k_efcc))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling grad_hnd_cos.F... cosmo_charges.F:346:72: 346 | do i = 1, ndens | ^ Warning: 'ndens' may be used uninitialized [-Wmaybe-uninitialized] cosmo_charges.F:263:19: 263 | integer ndens,nvirt(2) | ^ note: 'ndens' declared here grad_hnd_cos.F:197:23: 188 | $ dbl_mb(k_rad)) | 2 ...... 197 | $ int_mb(k_efciat))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling hnd_cosmo_lib.F... grad_hnd_cos.F:419:72: 419 | $ *cosff((rr-rin(iat1))/(rout(iat1)-rin(iat1)))) | ^ Warning: 'zeta1' may be used uninitialized [-Wmaybe-uninitialized] grad_hnd_cos.F:131:28: 131 | double precision zeta1, zeta2, zeta12 | ^ note: 'zeta1' was declared here grad_hnd_cos.F:491:72: 491 | dE = dz * fact | ^ Warning: 'fact' may be used uninitialized [-Wmaybe-uninitialized] grad_hnd_cos.F:129:37: 129 | double precision dE, qfac, fact, dx, dy, dz, rr | ^ note: 'fact' was declared here Compiling hnd_coschg.F... hnd_coschg.F:619:43: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 619 | $ (rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_coschg.F:640:52: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 640 | if(.not.rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_coschg.F:1208:52: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 1208 | if(.not.rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_coschg.F:1212:53: 921 | d dbl_mb(i20))) then | 2 ...... 1212 | if(.not.rtdb_put(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). hnd_coschg.F:1280:52: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 1280 | if(.not.rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_cosmo_lib.F:897:55: 894 | if(.not.rtdb_put(rtdb,'cosmo:nefc',mt_int,1 ,nefc)) | 2 ...... 897 | if(.not.rtdb_put(rtdb,'cosmo:efcc',mt_dbl,3*nefc,dbl_mb(k_efcc))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling cosmo_thomson.F... hnd_cosmo_lib.F:612:32: 612 | $ iangleb.lt.1.and.fibonacci.lt.1) then | ^ Warning: 'dbug' may be used uninitialized [-Wmaybe-uninitialized] hnd_cosmo_lib.F:402:22: 402 | logical dbug | ^ note: 'dbug' was declared here hnd_cosmo_lib.F:809:72: 809 | dbl_mb(k_efczz+ief-1) =zetai | ^ Warning: 'zetai' may be used uninitialized [-Wmaybe-uninitialized] hnd_cosmo_lib.F:433:56: 433 | double precision ratm_real,dij,dum,cavdsp,pi,zetai,zetaii | ^ note: 'zetai' was declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/solvation' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/solvation' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libsolvation.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libsolvation.a mnsol_mem.o mnsol_interface.o mnsol.o solv_data.o cosmo_smd_output.o cosmo_vem_output.o cosmo_lebedev.o cosmo_fibonacci.o cosmo_input.o cosmo_initialize.o cosmo_tidy.o cosmo_def_radii.o cosmo_charges.o grad_hnd_cos.o hnd_cosmo_lib.o hnd_coschg.o cosmo_thomson.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libsolvation.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libsolvation.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libsolvation.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/solvation' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/solvation' Making libraries in nwpw make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined Compiling nwpw_input.F... nwpw_input.F:436:53: 349 | 1510 if (.not.rtdb_put(rtdb,'pspw_qmmm_auxon',mt_log,1,.true.)) | 2 ...... 436 | value = rtdb_put(rtdb,'band:dos-grid',mt_int,3,cell_expand) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). nwpw_input.F:1467:33: 1462 | > mt_int,2,loop)) then | 2 ...... 1467 | > mt_dbl,1,ff)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). nwpw_input.F:1475:33: 1462 | > mt_int,2,loop)) then | 2 ...... 1475 | > mt_int,1,nz)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_input.F:1631:62: 1462 | > mt_int,2,loop)) then | 2 ...... 1631 | if (.not.rtdb_get(rtdb,'nwpw:pspspin_count',mt_int,1,nz)) nz=0 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_input.F:1784:56: 1462 | > mt_int,2,loop)) then | 2 ...... 1784 | if (.not.rtdb_get(rtdb,'nwpw:nuterms',mt_int,1,nuterms)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling nwpw_default.F... nwpw_default.F:165:54: 151 | > frac_coord) | 2 ...... 165 | > btdb_put(rtdb,'cgsd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling nwpw_vectors_input.F... nwpw_vectors_input.F:243:51: 139 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 243 | if (.not. rtdb_put(rtdb, test, mt_int, 1, nfrag)) call errquit | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_vectors_input.F:262:51: 139 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 262 | if (.not. rtdb_put(rtdb, test, MT_LOG, 1, olock)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Making all in nwpwlib make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib' Making all in Parallel make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/Parallel' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/Parallel' Compiling Parallel.F... Parallel.F:808:19: 626 | call ycopy(n,a,1,b,1) | 2 ...... 808 | call ycopy(n,0.0d0,0,b,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Parallel.F:866:19: 685 | call scopy(n,a,1,b,1) | 2 ...... 866 | call scopy(n,0.0,0,b,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Parallel.F:931:23: 626 | call ycopy(n,a,1,b,1) | 2 ...... 931 | call ycopy(n1,0.0d0,0,c(1,j),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling Parallel-mpi.F... Parallel-mpi.F:1342:72: 1342 | call stupid_icopy8to4(nreq,req,int_mb(request2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:210:72: 210 | call stupid_icopy8to4(np_i,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:221:72: 221 | call stupid_icopy8to4(np_j,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:387:72: 387 | call stupid_icopy8to4(np_i,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:401:72: 401 | call stupid_icopy8to4(np_j,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:414:72: 414 | call stupid_icopy8to4(np_k,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:584:28: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 584 | call MPI_Allreduce(isum2,isumall,stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:584:34: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 584 | call MPI_Allreduce(isum2,isumall,stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:782:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 782 | call MPI_Allreduce(sum,sumall(1),msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:782:39: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 782 | call MPI_Allreduce(sum,sumall(1),msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:783:22: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 783 | > MPI_DOUBLE_PRECISION, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:784:22: 546 | > stupid_max,stupid_world,stupid_ierr) | 2 ...... 784 | > MPI_SUM,comm_world,mpierr) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:784:30: 546 | > stupid_max,stupid_world,stupid_ierr) | 2 ...... 784 | > MPI_SUM,comm_world,mpierr) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:784:41: 546 | > stupid_max,stupid_world,stupid_ierr) | 2 ...... 784 | > MPI_SUM,comm_world,mpierr) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:819:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 819 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:819:30: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 819 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:822:19: 785 | call ycopy(n,sumall(1),1,sum,1) | 2 ...... 822 | call ycopy(n,sumall,1,sum0,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Parallel-mpi.F:872:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 872 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:917:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 917 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:917:30: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 917 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:973:72: 973 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:978:72: 978 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1071:24: 1026 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 2 ...... 1071 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:1117:24: 1026 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 2 ...... 1117 | call MPI_Bcast(isum4,stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:1169:72: 1169 | call stupid_icopy8to4(nsize,isum,int_mb(sumall(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1172:72: 1172 | call stupid_icopy4to8(nsize,int_mb(sumall(1)),isum) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1267:72: 1267 | call stupid_icopy8to4(nreq,req,int_mb(request2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1616:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 1616 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:1683:72: 1683 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1688:72: 1688 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1785:24: 1026 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 2 ...... 1785 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:1889:72: 1889 | call stupid_icopy8to4(nsize,isum,int_mb(sumall(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1892:72: 1892 | call stupid_icopy4to8(nsize,int_mb(sumall(1)),isum) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:2106:27: 1975 | call MPI_IRECV(A2, | 2 ...... 2106 | call MPI_IRECV(IA2, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Parallel-mpi.F:2124:27: 1991 | call MPI_ISEND(A1, | 2 ...... 2124 | call MPI_ISEND(IA1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Parallel-mpi.F:2264:72: 2264 | call stupid_icopy8to4(nsize,ival,int_mb(ival4(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:2268:20: 2225 | call MPI_SEND(rval,stupid_msglen,stupid_double, | 2 ...... 2268 | call MPI_SEND(int_mb(ival4(1)),stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Parallel-mpi.F:2399:20: 2348 | call MPI_RECV(rval,stupid_msglen,stupid_double, | 2 ...... 2399 | call MPI_RECV(int_mb(ival4(1)),stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Parallel-mpi.F:2403:72: 2403 | call stupid_icopy4to8(nsize,int_mb(ival4(1)),ival) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/Parallel' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/Parallel' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a Parallel.o Parallel-mpi.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/Parallel' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/Parallel' Making all in D1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/D1dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/D1dB' Compiling D1dB.F... Compiling Dne.F... Compiling Dnex.F... Compiling skew.F... Compiling Dne_omp.F... Dne_omp.F:595:19: 428 | > A(shift2), n, | 2 ...... 595 | > Ain(shift+mstart), 2*npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne_omp.F:598:19: 431 | > C(shift2), n) | 2 ...... 598 | > Aout(shift+mstart),2*npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:3216:22: 1027 | > Ain(shift), 2*npack1, | 2 ...... 3216 | > A(shift2), n, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:3219:22: 1030 | > Aout(shift),2*npack1) | 2 ...... 3219 | > C(shift2), n) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:2996:19: 1210 | > A1(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 2996 | > A(shift2),mcq(ms), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:2999:19: 1213 | > A2(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 2999 | > B(shift2),mcq(ms), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1086:19: 1086 | > Ain(shift),int_mb(ma(1,ms)+taskid_i), | 1 ...... 3181 | > A(shift2),mcq(ms), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1093:19: 1093 | > Aout(shift),int_mb(ma(1,ms)+taskid_i), | 1 ...... 3188 | > C(shift2),mcq(ms), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1686:68: 1686 | call Parallel_shared_vector_zero(.true.,2*(ne(1)+ne(2)),eig) | 1 ...... 5307 | call Parallel_shared_vector_zero(.true.,nall,B) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1787:47: 1787 | call ycopy(2*(ne(1)+ne(2)),0.0d0,0,eig,1) | 1 ...... 1925 | call ycopy(mcq(ms)*ncq(ms),dbl_mb(Q(1)),1,hml(shift2),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1814:39: 1814 | call ycopy(2*ne(ms)*ne(ms),hml(shift1),1,dbl_mb(tmp1(1)),1) | 1 ...... 1925 | call ycopy(mcq(ms)*ncq(ms),dbl_mb(Q(1)),1,hml(shift2),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1816:23: 1722 | > dcpl_mb(tmp1(1)),ne(ms), | 2 ...... 1816 | > dbl_mb(tmp1(1)),ne(ms), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1818:23: 1724 | > U(shift2),ne(ms), | 2 ...... 1818 | > dbl_mb(tmp2(1)),1,dbl_mb(tmp2(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1818:41: 1725 | > V(shift2),ne(ms), | 2 ...... 1818 | > dbl_mb(tmp2(1)),1,dbl_mb(tmp2(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1819:23: 1726 | > dcpl_mb(tmp4(1)),2*ne(1)*ne(1), | 2 ...... 1819 | > dbl_mb(tmp2(1)),2*ne(1)*ne(1), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:2300:56: 2152 | call dscal_omp(n2ft3d,(1.0d0/L(indx0)),A(1,q),1) | 2 ...... 2300 | call DSCAL_OMP(2*npack1,dbl_mb(tmp2(1)+n-1),U(shift),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:2421:52: 2218 | call yscal(ne(ms),sum,U(shift),1) | 2 ...... 2421 | call yscal(2*npack1,dbl_mb(tmp2(1)+n-1),U(shift),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:4237:49: 1719 | > hml(shift1),dcpl_mb(tmp1(1))) | 2 ...... 4237 | call Parallel_shared_vector_copy(.true.,nn,A,A0(shift2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:4237:51: 1719 | > hml(shift1),dcpl_mb(tmp1(1))) | 2 ...... 4237 | call Parallel_shared_vector_copy(.true.,nn,A,A0(shift2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:5396:46: 5216 | > call D1dB_Brdcst_values(kcur,2*npack1,dcpl_mb(A(1))) | 2 ...... 5396 | call D1dB_Brdcst_values(kcur,1,RRM) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:6684:22: 4975 | > A(shift2), | 2 ...... 6684 | > m2cq(ms),int_mb(m2c(1,ms)),int_mb(n2c(1,ms)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Dne.F:7822:22: 948 | > Ain(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7822 | > Ain(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7829:22: 955 | > Aout(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7829 | > Aout(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7844:22: 990 | > Ain(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7844 | > Ain(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7851:22: 997 | > Aout(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7851 | > Aout(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling D1dB-mpi.F... Compiling D1dBs-mpi.F... D1dB-mpi.F:86:27: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D1dB-mpi.F:86:39: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D1dB-mpi.F:234:25: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 234 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D1dB-mpi.F:300:32: 174 | call stupid_icopy8to4(1,isum,iisum) | 2 ...... 300 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D1dB-mpi.F:305:48: 177 | call stupid_icopy4to8(1,isumall,isum) | 2 ...... 305 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D1dBs-mpi.F:142:25: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_real, | 2 ...... 142 | call MPI_Allreduce(sum,real_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Dne.F:7243:72: 7243 | > 'work1in',work1in(2),work1in(1)) | ^ Warning: 'mcin' may be used uninitialized [-Wmaybe-uninitialized] Dne.F:7198:23: 7198 | integer mcin(2,NBLOCKS),ncin(2,NBLOCKS) | ^ note: 'mcin' declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/D1dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/D1dB' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a D1dB.o Dne.o Dnex.o skew.o Dne_omp.o D1dB-mpi.o D1dBs-mpi.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/D1dB' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/D1dB' Making all in D3dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/D3dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/D3dB' Compiling D3dB-new.F... Compiling D3dBs-new.F... D3dB-new.F:1019:61: 993 | call Parallel_shared_vector_zero(.true.,n2ft3d_map(nb),A) | 2 ...... 1019 | call Parallel_shared_vector_zero(.true.,n2ft3d_map(nb),A) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1080:61: 1053 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 1080 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1080:63: 1053 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 1080 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1709:72: 1709 | call cshift1_fftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1718:72: 1718 | call zeroend_fftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1804:72: 1804 | call cshift1_fftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1810:72: 1810 | call zeroend_fftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1839:31: 1714 | call drfftb(nx(nb),A(indx),dcpl_mb(tmpx(1,nb))) | 2 ...... 1839 | call drfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1856:31: 1601 | call dcfftb(nz(nb),dcpl_mb(tmp2(1)),dcpl_mb(tmpz(1,nb))) | 2 ...... 1856 | call dcfftb(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:2249:72: 2249 | call cshift_fftf(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:2409:72: 2409 | call cshift_fftf(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:2491:31: 2247 | call drfftf(nx(nb),A((j-1)*nxh+1),dcpl_mb(tmpx(1,nb)+offset)) | 2 ...... 2491 | call drfftf(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:2508:31: 2304 | > dcpl_mb(tmpy(1,nb)+offset)) | 2 ...... 2508 | call dcfftf(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dBs-new.F:41:62: 18 | call Parallel_shared_vector_szero(.true.,n2ft3d_map(nb),A) | 2 ...... 41 | call Parallel_shared_vector_szero(.true.,n2ft3d_map(nb),A) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:96:62: 71 | call Parallel_shared_vector_scopy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 96 | call Parallel_shared_vector_scopy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:96:64: 71 | call Parallel_shared_vector_scopy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 96 | call Parallel_shared_vector_scopy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:573:72: 573 | call cshift1_sfftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:582:72: 582 | call zeroend_sfftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:641:72: 641 | call cshift1_sfftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:647:72: 647 | call zeroend_sfftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:673:31: 578 | call srfftb(nx(nb),A(indx),scpl_mb(tmpx(1,nb))) | 2 ...... 673 | call srfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:686:31: 513 | call scfftb(nz(nb),scpl_mb(tmp2(1)),scpl_mb(tmpz(1,nb))) | 2 ...... 686 | call scfftb(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:852:72: 852 | call cshift_sfftf(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:956:72: 956 | call cshift_sfftf(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:1015:31: 850 | call srfftf(nx(nb),A((j-1)*nxh+1),scpl_mb(tmpx(1,nb)+offset)) | 2 ...... 1015 | call srfftf(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:1028:31: 879 | > scpl_mb(tmpy(1,nb)+offset)) | 2 ...... 1028 | call scfftf(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). Compiling generate_map_indexes.F... Compiling hilbert.c... hilbert.c: In function 'hilbert2d': hilbert.c:137:15: warning: variable 'direction' set but not used [-Wunused-but-set-variable] 137 | int start,direction; | ^~~~~~~~~ hilbert.c: In function 'hilbert_dir': hilbert.c:280:11: warning: 'direction' may be used uninitialized [-Wmaybe-uninitialized] 280 | return direction; | ^~~~~~~~~ hilbert.c:162:9: note: 'direction' was declared here 162 | int direction,parent_direction, | ^~~~~~~~~ Compiling hcurve.c... Compiling olist.c... Compiling trans.F... Compiling D3dB_pfft.F... Compiling D3dBs_pfft.F... D3dB_pfft.F:4018:35: 3762 | call ycopy((nx(id)+2)*ny(id)*nq(id),tmp2,1,tmp1,1) | 2 ...... 4018 | call ycopy(4*nfft3d(1)*aqmax,0.0d0,0,dcpl_mb(atmp(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2615:24: 2615 | call drfftf(nx,A(1,i),tmpx) | 1 ...... 2693 | call drfftf(nx(id),tmp1(indx),dcpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2615:31: 2615 | call drfftf(nx,A(1,i),tmpx) | 1 ...... 2693 | call drfftf(nx(id),tmp1(indx),dcpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2953:27: 2953 | call dcfftf(ny,A(1,i),tmpy) | 1 ...... 3070 | call dcfftf(nz(id),tmp1,dcpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2953:34: 2953 | call dcfftf(ny,A(1,i),tmpy) | 1 ...... 3070 | call dcfftf(nz(id),tmp1,dcpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3468:27: 3468 | call dcfftb(nz,A(1,i),tmpz) | 1 ...... 3584 | call dcfftb(ny(id),tmp1,dcpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3468:34: 3468 | call dcfftb(nz,A(1,i),tmpz) | 1 ...... 3584 | call dcfftb(ny(id),tmp1,dcpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3828:24: 3754 | call drfftb(nx(id),tmp2(indx),dcpl_mb(tmpx(1,id))) | 2 ...... 3828 | call drfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3828:31: 3754 | call drfftb(nx(id),tmp2(indx),dcpl_mb(tmpx(1,id))) | 2 ...... 3828 | call drfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling D3dB-mpi.F... D3dBs_pfft.F:972:24: 972 | call srfftf(nx,A(1,i),tmpx) | 1 ...... 1046 | call srfftf(nx(id),tmp1(indx),scpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:972:31: 972 | call srfftf(nx,A(1,i),tmpx) | 1 ...... 1046 | call srfftf(nx(id),tmp1(indx),scpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1257:27: 1257 | call scfftf(ny,A(1,i),tmpy) | 1 ...... 1345 | call scfftf(nz(id),tmp1,scpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1257:34: 1257 | call scfftf(ny,A(1,i),tmpy) | 1 ...... 1345 | call scfftf(nz(id),tmp1,scpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1694:27: 1694 | call scfftb(nz,A(1,i),tmpz) | 1 ...... 1780 | call scfftb(ny(id),tmp1,scpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1694:34: 1694 | call scfftb(nz,A(1,i),tmpz) | 1 ...... 1780 | call scfftb(ny(id),tmp1,scpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1987:24: 1928 | call srfftb(nx(id),tmp2(indx),scpl_mb(tmpx(1,id))) | 2 ...... 1987 | call srfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1987:31: 1928 | call srfftb(nx(id),tmp2(indx),scpl_mb(tmpx(1,id))) | 2 ...... 1987 | call srfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). Compiling D3dBs-mpi.F... D3dBs-mpi.F:663:24: 90 | > tmp1(int_mb(i1_start(1,nb)+1-1)), | 2 ...... 663 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-mpi.F:664:24: 91 | > tmp2(int_mb(i2_start(1,nb)+1-1))) | 2 ...... 664 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-mpi.F:686:27: 114 | call MPI_IRECV(tmp2(int_mb(i2_start(1,nb)+it+1-1)), | 2 ...... 686 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-mpi.F:718:26: 146 | call MPI_SEND(tmp1(int_mb(i1_start(1,nb)+it+1-1)), | 2 ...... 718 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-mpi.F:3286:26: 115 | > stupid_msglen,stupid_scomplex, | 2 ...... 3286 | > 2*stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). D3dBs-mpi.F:3339:27: 1338 | call MPI_ISEND(A(indx), | 2 ...... 3339 | call MPI_ISEND(int_mb(c_iq_to_i2+int_mb(i1_start+it+1-1)-1), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/COMPLEX(4)). D3dBs-mpi.F:3340:27: 1339 | > stupid_msglen,stupid_scomplex, | 2 ...... 3340 | > 2*stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). D3dBs-mpi.F:5218:25: 5120 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_real, | 2 ...... 5218 | call MPI_Allreduce(sum,real_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D3dB-mpi.F:502:27: 502 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 1 ...... 692 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:534:26: 534 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 1 ...... 724 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:881:28: 793 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 881 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D3dB-mpi.F:881:40: 793 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 881 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D3dB-mpi.F:946:25: 793 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 946 | call MPI_Allreduce(sum,dbl_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D3dB-mpi.F:1127:17: 669 | call ycopy(msglen,tmp1(int_mb(h_i1_start(1,op,nb))),1, | 2 ...... 1127 | > tmp1(int_mb(i1_start(1,nbb)+1-1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:1128:17: 670 | > tmp2(int_mb(h_i2_start(1,op,nb))),1) | 2 ...... 1128 | > tmp2(int_mb(i2_start(1,nbb)+1-1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:3257:29: 2766 | call dread(iunit,tmp,(nx(nb)+2)*ny(nb)) | 2 ...... 3257 | call dread(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:3312:29: 2814 | call MPI_RECV(tmp, | 2 ...... 3312 | call MPI_RECV(tmp, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:3901:72: 3901 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:3901:72: 3901 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:4141:72: 4141 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:4141:72: 4141 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:4858:30: 4271 | call dwrite(iunit,tmp,(nx(nb)+2)*ny(nb)) | 2 ...... 4858 | call dwrite(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:5162:72: 5162 | > dcpl_mb(tmp2(1))) !*** map3to1 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:5162:72: 5162 | > dcpl_mb(tmp2(1))) !*** map3to1 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:6107:21: 478 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 2 ...... 6107 | > tmp1(int_mb(ic1_start(1)+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:6108:21: 479 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 2 ...... 6108 | > tmp2(int_mb(ic2_start(1)+1-1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:6984:26: 693 | > stupid_msglen,stupid_double, | 2 ...... 6984 | > 2*stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). D3dB-mpi.F:7037:27: 1621 | call MPI_ISEND(A(indx), | 2 ...... 7037 | call MPI_ISEND(int_mb(c_iq_to_i2+int_mb(i1_start+it+1-1)-1), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/COMPLEX(8)). D3dB-mpi.F:7038:27: 1622 | > stupid_msglen,stupid_complex, | 2 ...... 7038 | > 2*stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/D3dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/D3dB' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a D3dB-new.o D3dBs-new.o generate_map_indexes.o hilbert.o hcurve.o olist.o trans.o D3dB_pfft.o D3dBs_pfft.o D3dB-mpi.o D3dBs-mpi.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/D3dB' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/D3dB' Making all in Pneb make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/Pneb' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/Pneb' Compiling Pneb.F... Pneb.F:2045:55: 2044 | call Parallela_Brdcst_values(1,MASTER,2*(vindex-1),V) | 2 2045 | call Parallela_Brdcst_values(1,MASTER,(sindex-1),S) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:1589:54: 1589 | if (np.gt.1) call C3dB_Vector_SumAll(2*nsize,hml) | 1 ...... 3223 | if (np.gt.1) call C3dB_Vector_SumAll(nsize,hml) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Pneb.F:4542:51: 1097 | call Parallel_shared_vector_zero(.true.,2*nsize,w) | 2 ...... 4542 | call Parallel_shared_vector_zero(.true.,nall,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:4550:35: 4518 | call C1dB_Vector_SumAll(2*nall,B) | 2 ...... 4550 | call C1dB_Vector_SumAll(nall,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:1268:72: 1268 | > dcpl_mb(mat_tmp(1)),hml) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) Pneb.F:2564:26: 1913 | call ycopy(2*nsize,hml,1,gml,1) | 2 ...... 2564 | call ycopy(2*nbrill,0.0d0,0,dbl_mb(sm2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:2564:34: 1913 | call ycopy(2*nsize,hml,1,gml,1) | 2 ...... 2564 | call ycopy(2*nbrill,0.0d0,0,dbl_mb(sm2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:2576:72: 2576 | > sum2) | 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2576:72: 2576 | > sum2) | 1 Warning: Type mismatch in argument 'y2' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2576:31: 2576 | > sum2) | 1 Warning: Rank mismatch in argument 'hml' at (1) (rank-1 and scalar) Pneb.F:2579:72: 2579 | call Pneb_makeOrtho(ms,nbq,npack1,dbl_mb(a_shift)) | 1 Warning: Type mismatch in argument 'a' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2583:72: 2583 | > sum3) | 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2583:72: 2583 | > sum3) | 1 Warning: Type mismatch in argument 'y2' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2583:31: 2583 | > sum3) | 1 Warning: Rank mismatch in argument 'hml' at (1) (rank-1 and scalar) Pneb.F:2834:35: 2834 | call Cram_cc_zdot(nb,dbl_mb(index11),dbl_mb(index21),wc1) | 1 ...... 4495 | call Cram_cc_zdot(nbq,Y(indx), Y(indx2),z1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:2834:51: 2834 | call Cram_cc_zdot(nb,dbl_mb(index11),dbl_mb(index21),wc1) | 1 ...... 4495 | call Cram_cc_zdot(nbq,Y(indx), Y(indx2),z1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:3125:72: 3125 | > tmp) | 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:3125:72: 3125 | > tmp) | 1 Warning: Type mismatch in argument 'y2' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:3125:29: 3125 | > tmp) | 1 Warning: Rank mismatch in argument 'hml' at (1) (rank-1 and scalar) Pneb.F:4472:72: 4472 | > dbl_mb(svec_shift)) | 1 Warning: Type mismatch in argument 'y' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:5272:60: 5272 | > nbsize*4*(ne(1)*ne(1)+ne(2)*ne(2)),C) | 1 ...... 5416 | > nbsize*8*(ne(1)*ne(1)+ne(2)*ne(2)),C) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:5600:30: 1886 | call dscal_omp(2*nsize,alpha,hml,1) | 2 ...... 5600 | call DSCAL_OMP(nn,alpha,M,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:5817:64: 1970 | call Parallel_shared_vector_copy(.true.,2*nsize,hml,gml) | 2 ...... 5817 | > nbsize*8*(ne(1)*ne(1)+ne(2)*ne(2)),K,U) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Pneb.F:5817:66: 1970 | call Parallel_shared_vector_copy(.true.,2*nsize,hml,gml) | 2 ...... 5817 | > nbsize*8*(ne(1)*ne(1)+ne(2)*ne(2)),K,U) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Pneb.F:5524:17: 5524 | real*8 sum | ^ Warning: 'sum' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:5770:32: 5770 | integer nb,nb1,nb2,ishift3,ishift4,nbsize,nn,i | ^ Warning: 'ishift3' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:5867:32: 5867 | integer nb,nb1,nb2,ishift3,ishift4 | ^ Warning: 'ishift3' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:5979:72: 5979 | > 4*ne(ms)*ne(ms)*nbsize,A) | ^ Warning: 'ms' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:5950:16: 5950 | integer ms,ms1,ms2,shift2,ishift2,k | ^ note: 'ms' was declared here Pneb.F:6042:72: 6042 | > 8*ne(ms)*ne(ms)*nbsize,A) | ^ Warning: 'ms' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:6013:16: 6013 | integer ms,ms1,ms2,shift2,ishift2,k | ^ note: 'ms' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/Pneb' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/Pneb' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a Pneb.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/Pneb' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/Pneb' Making all in K1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/K1dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/K1dB' Compiling K1dB.F... Compiling K1dB-mpi.F... K1dB-mpi.F:73:27: 30 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 73 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). K1dB-mpi.F:73:39: 30 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 73 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). K1dB-mpi.F:209:28: 30 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 209 | call MPI_Allreduce(sum,dbl_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/K1dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/K1dB' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a K1dB.o K1dB-mpi.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/K1dB' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/K1dB' Making all in C1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/C1dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/C1dB' Compiling C1dB.F... Compiling C1dB-mpi.F... C1dB-mpi.F:86:27: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C1dB-mpi.F:86:39: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C1dB-mpi.F:234:25: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 234 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) C1dB-mpi.F:300:32: 174 | call stupid_icopy8to4(1,isum,iisum) | 2 ...... 300 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) C1dB-mpi.F:305:48: 177 | call stupid_icopy4to8(1,isumall,isum) | 2 ...... 305 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/C1dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/C1dB' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a C1dB.o C1dB-mpi.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/C1dB' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/C1dB' Making all in C3dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/C3dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/C3dB' Compiling C3dB-new.F... Compiling c_trans.F... C3dB-new.F:841:61: 828 | call Parallel_shared_vector_zero(.true.,2*nfft3d_map(nb),A) | 2 ...... 841 | call Parallel_shared_vector_zero(.true.,n2ft3d_map(nb),A) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-new.F:873:61: 861 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 873 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-new.F:873:63: 861 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 873 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-new.F:2037:35: 2011 | call RCV(9+MSGDBL,tmp(k),mdtob(msglen),rcv_len, | 2 ...... 2037 | call RCV(9+MSGINT,idum,mitob(msglen),rcv_len, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). C3dB-new.F:2039:35: 2010 | call SND(9+MSGINT,idum,mitob(msglen),source,1) | 2 ...... 2039 | call SND(9+MSGDBL,tmp,mdtob(msglen),dest,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). C3dB-new.F:3409:39: 3348 | call C3dB_Vector_SumAll(2,suma) | 2 ...... 3409 | call C3dB_Vector_SumAll(nn*ne,sumall) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling C3dB_pfft.F... Compiling C3dB-mpi.F... C3dB-mpi.F:688:24: 492 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 2 ...... 688 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:689:24: 493 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 2 ...... 689 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:713:27: 517 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 2 ...... 713 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:745:26: 549 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 2 ...... 745 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:909:28: 819 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 909 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C3dB-mpi.F:909:40: 819 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 909 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C3dB-mpi.F:972:25: 819 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 972 | call MPI_Allreduce(sum,dbl_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) C3dB-mpi.F:2881:29: 2605 | call dread(iunit,tmp,2*nx(nb)*ny(nb)) | 2 ...... 2881 | call dread(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:2928:29: 2653 | call MPI_RECV(tmp, | 2 ...... 2928 | call MPI_RECV(tmp, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:3035:72: 3035 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:3035:72: 3035 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:3576:72: 3576 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:3576:72: 3576 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:4296:30: 3709 | call dwrite(iunit,tmp,2*nx(nb)*ny(nb)) | 2 ...... 4296 | call dwrite(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/C3dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/C3dB' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a C3dB-new.o c_trans.o C3dB_pfft.o C3dB-mpi.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/C3dB' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/C3dB' Making all in DMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/DMatrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/DMatrix' Compiling DMatrix.F... Compiling DMatrix-mpi.F... DMatrix-mpi.F:1625:26: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 1625 | call MPI_Bcast(beta,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) DMatrix-mpi.F:1671:21: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 1671 | call MPI_Bcast(v2,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) DMatrix-mpi.F:1892:25: 1609 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1892 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:1892:31: 1609 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1892 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:1945:25: 1609 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1945 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:1945:31: 1609 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1945 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:3096:26: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 3096 | call MPI_Bcast(beta,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) DMatrix-mpi.F:3141:21: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 3141 | call MPI_Bcast(r2,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/DMatrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/DMatrix' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a DMatrix.o DMatrix-mpi.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/DMatrix' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/DMatrix' Making all in CMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/CMatrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/CMatrix' Compiling CMatrix.F... Compiling CMatrix-mpi.F... CMatrix-mpi.F:1070:39: 288 | call Parallel_shared_vector_zero(.true.,ne0,Bcol(1+(j-1)*ne0)) | 2 ...... 1070 | > C) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1100:27: 1100 | call MPI_Bcast(work1,stupid_msglen, | 1 ...... 1244 | call MPI_Bcast(work2,stupid_msglen,stupid_complex, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1123:25: 1123 | call MPI_Reduce(work2,work1,stupid_msglen, | 1 ...... 1266 | call MPI_Reduce(work1,work2,stupid_msglen,stupid_complex, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1123:31: 1123 | call MPI_Reduce(work2,work1,stupid_msglen, | 1 ...... 1266 | call MPI_Reduce(work1,work2,stupid_msglen,stupid_complex, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1138:51: 1138 | call DAXPY_OMP(nc(taskid_j+1),1.0d0,work1(shift),iwrk, | 1 ...... 1280 | > work2(shift),1, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1139:42: 1139 | > C(i+1,1),mc(taskid_i+1)) | 1 ...... 1281 | > C(1,j+1),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1849:25: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1849 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1849:31: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1849 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1902:25: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1902 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1902:31: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1902 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1941:27: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1941 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_complex, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). CMatrix-mpi.F:1941:31: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1941 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_complex, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). CMatrix-mpi.F:2186:53: 2186 | integer kk,iwrk,icur,jcur,ierr,shift,shft,shft2,shft3 | ^ Warning: 'shft2' may be used uninitialized [-Wmaybe-uninitialized] CMatrix-mpi.F:2186:59: 2186 | integer kk,iwrk,icur,jcur,ierr,shift,shft,shft2,shft3 | ^ Warning: 'shft3' may be used uninitialized [-Wmaybe-uninitialized] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/CMatrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/CMatrix' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a CMatrix.o CMatrix-mpi.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/CMatrix' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/CMatrix' Making all in TMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/TMatrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/TMatrix' Compiling dgemm_omp.F... Compiling dgamm_omp.F... Compiling daxpy_omp.F... Compiling saxpy_omp.F... Compiling dscal_omp.F... Compiling zscal_omp.F... Compiling ffm_multiply_omp_group.F... Compiling zgemm_omp.F... Compiling sgemm_omp.F... Compiling ffw_multiply_omp_group.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/TMatrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/TMatrix' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a dgemm_omp.o dgamm_omp.o daxpy_omp.o saxpy_omp.o dscal_omp.o zscal_omp.o ffm_multiply_omp_group.o zgemm_omp.o sgemm_omp.o ffw_multiply_omp_group.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/TMatrix' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/TMatrix' Making all in control make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/control' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/control' Compiling control.F... Compiling psi_get_ne.F... psi_get_ne.F:53:22: 52 | call iread(4,version,1) | 2 53 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:56:22: 52 | call iread(4,version,1) | 2 ...... 56 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:64:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 63 | msglen = 3 64 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:70:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 70 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:157:22: 52 | call iread(4,version,1) | 2 ...... 157 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:160:22: 52 | call iread(4,version,1) | 2 ...... 160 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:168:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 168 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:174:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 174 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:257:22: 52 | call iread(4,version,1) | 2 ...... 257 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:260:22: 52 | call iread(4,version,1) | 2 ...... 260 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:271:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 271 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:277:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 277 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:363:22: 52 | call iread(4,version,1) | 2 ...... 363 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:366:22: 52 | call iread(4,version,1) | 2 ...... 366 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:377:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 377 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:383:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 383 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psi_get_version.F... Compiling psi_get_header.F... psi_get_header.F:53:25: 52 | call iread(4,version,1) | 2 53 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:56:25: 52 | call iread(4,version,1) | 2 ...... 56 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:74:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 74 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:80:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 80 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:124:22: 52 | call iread(4,version,1) | 2 ...... 124 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:127:22: 52 | call iread(4,version,1) | 2 ...... 127 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:135:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 135 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:141:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 141 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cpsi_get_header.F... cpsi_get_header.F:45:22: 44 | call iread(4,version,1) | 2 45 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_get_header.F:48:22: 44 | call iread(4,version,1) | 2 ...... 48 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_get_header.F:57:49: 55 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 56 | msglen = 3 57 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_get_header.F:63:49: 55 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 63 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) control.F:4968:26: 4968 | > dbl_mb(kvs(1))) | 1 ...... 5875 | if (.not.btdb_get(rtdb,'nwpw:3x3ne_virtual',mt_log,1,value)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). control.F:1577:54: 1577 | if (.not.btdb_put(rtdb,rtdb_unita,mt_dbl,9,unita)) then | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control_gga.fh:372:60: 64 | value = rtdb_put(rtdb,'cpsd:ispin',mt_int,1,2) | 2 ...... 372 | value = value.and.rtdb_put(rtdb,'pspw:HFX',mt_log,1,.true.) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). control.F:663:22: 663 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1061:22: 1061 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1099:22: 1099 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1175:25: 1175 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1179:58: 1179 | > btdb_put(rtdb,rtdb_unitaf,mt_dbl,9,unita_frozen) | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1193:28: 1193 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1197:58: 1197 | > btdb_put(rtdb,rtdb_unitaf,mt_dbl,9,unita_frozen) | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1203:22: 1203 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:2567:19: 2567 | call ycopy(9,unita_in,1,unita,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) control.F:2576:52: 2576 | if (.not.btdb_put(rtdb,rtdb_unita,mt_dbl,9,unita)) | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:2595:19: 2595 | call ycopy(9,unita,1,unita_out,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:2626:19: 2626 | call ycopy(9,unita_in,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) control.F:2635:52: 2635 | if (.not.btdb_put(rtdb,rtdb_unita,mt_dbl,9,unita)) | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:7456:55: 6199 | > mt_dbl,1,wcut_atom)) | 2 ...... 7456 | value = btdb_put(rtdb,'nwpw:excited_ne',mt_int,2,ne) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling rho_check_header.F... rho_check_header.F:58:25: 57 | call iread(4,version,1) | 2 58 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rho_check_header.F:80:52: 70 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 80 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling get_psp_type.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/control' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/control' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a control.o psi_get_ne.o psi_get_version.o psi_get_header.o cpsi_get_header.o rho_check_header.o get_psp_type.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/control' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/control' Making all in lattice make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/lattice' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/lattice' Compiling lattice.f... lattice.f:1160:19: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1160 | call ycopy(9,0.0d0,0,a,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1165:26: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1165 | call ycopy(6*n2ft3d,0.0d0,0,xs,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1435:26: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1435 | call ycopy(3*n2ft3d,0.0d0,0,r,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1509:26: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1509 | call ycopy(3*n2ft3d,0.0d0,0,r,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1710:24: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1710 | call ycopy(n2ft3d,0.0d0,0,r,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling mask_init.F... Compiling pack.F... Compiling cloak.F... pack.F:2993:66: 2901 | call Parallel_shared_vector_copy(.true.,2*(nida(nb)+nidb(nb)),A,B) | 2 ...... 2993 | call Parallel_shared_vector_copy(.true.,(nida(nb)+nidb(nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pack.F:2993:68: 2901 | call Parallel_shared_vector_copy(.true.,2*(nida(nb)+nidb(nb)),A,B) | 2 ...... 2993 | call Parallel_shared_vector_copy(.true.,(nida(nb)+nidb(nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pack.F:469:55: 469 | call Parallel_shared_vector_zero(.true.,2*nfft3d,A) | 1 ...... 696 | call Parallel_shared_vector_zero(.true.,nfft3d,A) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pack.F:758:24: 757 | call icopy(nfft3d,A,1,int_mb(tmp1(1)),1) | 2 758 | call icopy(nfft3d,0,0,A,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling cram.F... Compiling balance.F... balance.F:483:24: 416 | > A(indx), | 2 ...... 483 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(4)/COMPLEX(8)). balance.F:501:24: 434 | > A(indx), | 2 ...... 501 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(4)/COMPLEX(8)). cram.F:223:26: 222 | call ycopy(2*nfft3d,A,1,dcpl_mb(tmp1(1)),1) | 2 223 | call ycopy(2*nfft3d,0.0d0,0,A,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:352:28: 222 | call ycopy(2*nfft3d,A,1,dcpl_mb(tmp1(1)),1) | 2 ...... 352 | call ycopy(nfft3d,A,1,dbl_mb(tmp1(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:401:24: 400 | call icopy(nfft3d,A,1,int_mb(tmp1(1)),1) | 2 401 | call icopy(nfft3d,0,0,A,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cram.F:983:45: 743 | call C3dB_Vector_SumAll(2*ne,sum) | 2 ...... 983 | if (np.gt.1) call C3dB_Vector_SumAll(2,tsum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cram.F:1290:42: 1047 | sum = ydot(2*int_mb(nidb2_list(1)+nb),A,1,B,1) | 2 ...... 1290 | sum = ydot(int_mb(nidb2_list(1)+nb),A(1),1,B(1),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:1290:49: 1047 | sum = ydot(2*int_mb(nidb2_list(1)+nb),A,1,B,1) | 2 ...... 1290 | sum = ydot(int_mb(nidb2_list(1)+nb),A(1),1,B(1),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:1408:66: 1387 | > 2*(int_mb(nidb2_list(1)+nb)),A,B) | 2 ...... 1408 | > (int_mb(nidb2_list(1)+nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:1408:68: 1387 | > 2*(int_mb(nidb2_list(1)+nb)),A,B) | 2 ...... 1408 | > (int_mb(nidb2_list(1)+nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling c_balance.F... c_balance.F:457:24: 390 | > A(indx), | 2 ...... 457 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). c_balance.F:475:24: 408 | > A(indx), | 2 ...... 475 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling G_init.F... Compiling c_G_init.F... Compiling strfac.F... Compiling cstrfac.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/lattice' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/lattice' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a lattice.o mask_init.o pack.o cloak.o cram.o balance.o c_balance.o G_init.o c_G_init.o strfac.o cstrfac.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/lattice' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/lattice' Making all in io make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/io' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/io' Compiling compressed_io.c... Compiling nwpw_message.F... Compiling second.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/io' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/io' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a compressed_io.o nwpw_message.o second.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/io' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/io' Making all in ion make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ion' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ion' Making all in shake make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ion/shake' Compiling center.f... make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ion/shake' Compiling ion_FixIon.F... Compiling incell1.f... Compiling incell2.f... Compiling incell3.f... Compiling unfold.f... Compiling xyz.F... Compiling ion.F... Compiling katm_list.F... Compiling fcoord.f... Compiling seperate_molpsp.F... ion.F:815:15: 815 | if (.not. beom_tag_to_element(t,symbol,name,q)) | 1 Warning: Missing actual argument for argument '_formal_23' at (1) ion.F:4867:27: 4714 | call ycopy(N,0.0d0,0,G1,1) | 2 ...... 4867 | call ycopy(nat3*nat3,hess,1,hessp,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) ion.F:117:56: 117 | value = btdb_put(rtdb,"nwpw:ke_count",mt_int,1,ke_count) | 1 ...... 4520 | > nhess,dbl_mb(ihess(1)))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). ion.F:397:57: 397 | if (.not.btdb_get(rtdb,"nwpw:ke_count",mt_int,1,ke_count)) | 1 ...... 4483 | > nhess,dbl_mb(ihess(1))) .and. | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). ion.F:758:15: 758 | if (.not. beom_tag_to_element(t,symbol,name,q)) | 1 Warning: Missing actual argument for argument '_formal_23' at (1) ion.F:3071:26: 3071 | call ycopy((3*nion),rion,1,dbl_mb(r1(1)),1) | 1 ...... 4714 | call ycopy(N,0.0d0,0,G1,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling shake_chain.F... seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here Compiling seperate_pointcharge.F... Compiling shake_chain2.F... seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here Compiling ion_scaling_atoms.F... Compiling shake_chain3.F... Compiling shake_bonddiff.F... Compiling shake_analysis.F... Compiling molecular.F... Compiling pspw_molecule.c... ion.F:1951:40: 1951 | integer function ion_rion_indx_ptr(indx) | ^ Warning: '__result_ion_rion_indx_ptr' may be used uninitialized [-Wmaybe-uninitialized] Compiling pspw_atom.c... Compiling pspw_bond.c... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ion/shake' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ion/shake' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ion' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a shake_chain.o shake_chain2.o shake_chain3.o shake_bonddiff.o shake_analysis.o molecular.o pspw_molecule.o pspw_atom.o pspw_bond.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ion/shake' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ion/shake' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ion' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a center.o ion_FixIon.o incell1.o incell2.o incell3.o unfold.o xyz.o ion.o katm_list.o fcoord.o seperate_molpsp.o seperate_pointcharge.o ion_scaling_atoms.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ion' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ion' Making all in pseudopotential make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/pseudopotential' Compiling psp_generator_input.F... Compiling pspsolve.c... In file included from pspsolve.c:19: rpspsolve.c: In function 'rpspsolve_': rpspsolve.c:84:9: warning: unused variable 'soutfile' [-Wunused-variable] 84 | char *soutfile = (char *) malloc (m0 + m2 + 9); | ^~~~~~~~ rpspsolve.c:66:16: warning: unused variable 'l' [-Wunused-variable] 66 | int i, j, k, l, p, Nlinear, Nvalence; | ^ rpspsolve.c:66:10: warning: unused variable 'j' [-Wunused-variable] 66 | int i, j, k, l, p, Nlinear, Nvalence; | ^ rpspsolve.c:66:7: warning: unused variable 'i' [-Wunused-variable] 66 | int i, j, k, l, p, Nlinear, Nvalence; | ^ Compiling hgh_parse.c... hgh_parse.c: In function 'hgh_parse_': hgh_parse.c:85:14: warning: unused variable 'words' [-Wunused-variable] 85 | char words[20][80]; | ^~~~~ hgh_parse.c:84:19: warning: unused variable 'value' [-Wunused-variable] 84 | int argc,value; | ^~~~~ hgh_parse.c:84:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 84 | int argc,value; | ^~~~ hgh_parse.c:83:14: warning: unused variable 'line' [-Wunused-variable] 83 | char line[255]; | ^~~~ hgh_parse.c:66:14: warning: unused variable 'nmax_l' [-Wunused-variable] 66 | int nmax_l[4]; | ^~~~~~ hgh_parse.c:63:14: warning: variable 'rlocal_out' set but not used [-Wunused-but-set-variable] 63 | double rlocal_out; | ^~~~~~~~~~ hgh_parse.c:62:23: warning: variable 'locp_out' set but not used [-Wunused-but-set-variable] 62 | int lmax_out,locp_out; | ^~~~~~~~ hgh_parse.c:62:14: warning: variable 'lmax_out' set but not used [-Wunused-but-set-variable] 62 | int lmax_out,locp_out; | ^~~~~~~~ Compiling cpi_parse.c... cpi_parse.c: In function 'cpi_parse_': cpi_parse.c:99:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 99 | int argc,value; | ^~~~ Compiling teter_parse.c... teter_parse.c: In function 'teter_parse_': teter_parse.c:101:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 101 | int argc; | ^~~~ teter_parse.c:90:14: warning: variable 'r0' set but not used [-Wunused-but-set-variable] 90 | double r0,xx; | ^~ Compiling carter_parse.c... carter_parse.c: In function 'carter_parse_': carter_parse.c:97:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 97 | int argc; | ^~~~ carter_parse.c:89:35: warning: unused variable 'e999' [-Wunused-variable] 89 | double r2well,rcore[10],e99,e999; | ^~~~ carter_parse.c:89:31: warning: unused variable 'e99' [-Wunused-variable] 89 | double r2well,rcore[10],e99,e999; | ^~~ carter_parse.c:87:14: warning: unused variable 'n' [-Wunused-variable] 87 | int n[10]; | ^ carter_parse.c:86:17: warning: unused variable 'xx' [-Wunused-variable] 86 | double r0,xx; | ^~ carter_parse.c:86:14: warning: unused variable 'r0' [-Wunused-variable] 86 | double r0,xx; | ^~ carter_parse.c:85:24: warning: variable 'lmaxp' set but not used [-Wunused-but-set-variable] 85 | int lmax,locp,lmaxp; | ^~~~~ carter_parse.c:83:22: warning: unused variable 'rmax' [-Wunused-variable] 83 | double drl=0.0,rmax; | ^~~~ carter_parse.c:82:7: warning: unused variable 'pspl' [-Wunused-variable] 82 | **pspl; | ^~~~ carter_parse.c:81:7: warning: unused variable 'psil' [-Wunused-variable] 81 | **psil, | ^~~~ carter_parse.c:80:66: warning: unused variable 'sc_drhol' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~~ carter_parse.c:80:56: warning: unused variable 'sc_drho' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ carter_parse.c:80:46: warning: unused variable 'sc_rhol' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ carter_parse.c:80:37: warning: unused variable 'sc_rho' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~ carter_parse.c:80:30: warning: unused variable 'tmp2' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~ carter_parse.c:80:24: warning: unused variable 'tmp' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~ carter_parse.c:80:19: warning: unused variable 'rl' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~ carter_parse.c:77:18: warning: unused variable 'l' [-Wunused-variable] 77 | int i,k,l,p,p1; | ^ carter_parse.c:76:15: warning: unused variable 'nl' [-Wunused-variable] 76 | int *nl; | ^~ carter_parse.c:74:12: warning: variable 'over_fourpi' set but not used [-Wunused-but-set-variable] 74 | double over_fourpi; | ^~~~~~~~~~~ pspsolve.c: In function 'pspsolve_': pspsolve.c:77:42: warning: 'psil_extra' may be used uninitialized [-Wmaybe-uninitialized] 77 | double *rl, *rhol, **psil_ae,**psil, **psil_extra, **pspl; | ^~~~~~~~~~ Compiling qmmm_parse.c... qmmm_parse.c: In function 'qmmm_parse_': qmmm_parse.c:93:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 93 | int argc; | ^~~~ qmmm_parse.c:86:41: warning: unused variable 's_sigma' [-Wunused-variable] 86 | double rc,rc1,rc2,rr1,rr2,ttt,sss,s_sigma; | ^~~~~~~ Compiling get_word.c... get_word.c: In function 'get_line': get_word.c:33:8: warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] 33 | if (c=='\n') | ^ get_word.c:28:11: note: 'c' was declared here 28 | int c,i; | ^ Compiling name.c... Compiling loggrid.c... Compiling pred_cor.c... Compiling spline.c... Compiling grids.c... grids.c: In function 'dealloc_Grid': grids.c:142:42: warning: format '%lx' expects argument of type 'long unsigned int', but argument 2 has type 'double *' [-Wformat=] 142 | printf(" address: %lx\n", grid); | ~~^ ~~~~ | | | | | double * | long unsigned int grids.c:147:23: warning: format '%lx' expects argument of type 'long unsigned int', but argument 2 has type 'double *' [-Wformat=] 147 | printf("%lx ", cur->grid); | ~~^ ~~~~~~~~~ | | | | | double * | long unsigned int Compiling atom.c... atom.c: In function 'solve_Atom': atom.c:314:22: warning: unused variable 'sz' [-Wunused-variable] 314 | int it, converged, sz; | ^~ atom.c: In function 'solve_Scattering_State_Atom': atom.c:546:7: warning: unused variable 'st' [-Wunused-variable] 546 | int st; | ^~ atom.c: In function 'print_Atom': atom.c:640:10: warning: unused variable 'st' [-Wunused-variable] 640 | int i, st; | ^~ Compiling schrodin.c... Compiling pauli.c... pauli.c: In function 'R_Pauli_Fixed_E': pauli.c:365:5: warning: variable 'node' set but not used [-Wunused-but-set-variable] 365 | node, | ^~~~ Compiling dirac.c... schrodin.c: In function 'R_Schrodinger': schrodin.c:249:5: warning: 'de' may be used uninitialized [-Wmaybe-uninitialized] 249 | printf("R_Schrodinger: More than %d iterations, Eig=%le, de=%le\n",Max_Iterations,E,de); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ schrodin.c:46:16: note: 'de' was declared here 46 | double E, de, | ^~ dirac.c: In function 'R_Dirac': dirac.c:43:9: warning: unused variable 'L0' [-Wunused-variable] 43 | L2, L0, | ^~ dirac.c: In function 'R_Dirac_Fixed_E': dirac.c:319:33: warning: unused variable 'L0' [-Wunused-variable] 319 | log_amesh2, fss, gamma, L2, L0, r2, sum, *r, *f_upp, *dv, *frp, *fr, *upp; | ^~ dirac.c: In function 'R_Dirac_FixedLogDeriv': dirac.c:459:13: warning: unused variable 'scale' [-Wunused-variable] 459 | sum, a, scale, m1scale, | ^~~~~ dirac.c:459:10: warning: unused variable 'a' [-Wunused-variable] 459 | sum, a, scale, m1scale, | ^ dirac.c:457:9: warning: unused variable 'L0' [-Wunused-variable] 457 | L2, L0, | ^~ dirac.c:449:32: warning: unused variable 'Ninf' [-Wunused-variable] 449 | int i, j, iteration, node, Ninf, Ngrid; | ^~~~ Compiling zora.c... zora.c: In function 'R_ZORA': zora.c:45:9: warning: unused variable 'L0' [-Wunused-variable] 45 | L2, L0, | ^~ zora.c: In function 'R_ZORA_Fixed_E': zora.c:321:33: warning: unused variable 'L0' [-Wunused-variable] 321 | log_amesh2, fss, gamma, L2, L0, r2, sum, *r, *f_upp, *dv, *frp, *fr, *upp; | ^~ Compiling dft.c... dft.c: In function 'R_Screening_Cut': dft.c:140:13: warning: variable 'n0' set but not used [-Wunused-but-set-variable] 140 | int k,NN,n0,n1=0; | ^~ dft.c:162:22: warning: 'r0' may be used uninitialized [-Wmaybe-uninitialized] 162 | m = (v1-v0)/(r1-r0); | ~~~^~~~ dft.c:141:11: note: 'r0' was declared here 141 | double r0,r1=0.0,v0,v1=0.0,m,b; | ^~ dft.c:162:14: warning: 'v0' may be used uninitialized [-Wmaybe-uninitialized] 162 | m = (v1-v0)/(r1-r0); | ~~~^~~~ dft.c:141:21: note: 'v0' was declared here 141 | double r0,r1=0.0,v0,v1=0.0,m,b; | ^~ Compiling hartree.c... Compiling dirac_exchange.c... Compiling perdew_wang.c... perdew_wang.c: In function 'R_Perdew_Wang': perdew_wang.c:46:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 46 | double sevensixth; | ^~~~~~~~~~ perdew_wang.c:45:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 45 | double onesixth; | ^~~~~~~~ Compiling perdew_zunger.c... perdew_zunger.c: In function 'R_Perdew_Zunger': perdew_zunger.c:56:12: warning: variable 'two_to_onethird' set but not used [-Wunused-but-set-variable] 56 | double two_to_onethird; | ^~~~~~~~~~~~~~~ perdew_zunger.c:55:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 55 | double onethird,fourthird,twothird; | ^~~~~~~~ perdew_zunger.c:55:21: warning: variable 'fourthird' set but not used [-Wunused-but-set-variable] 55 | double onethird,fourthird,twothird; | ^~~~~~~~~ Compiling vosko.c... vosko.c: In function 'R_Vosko': vosko.c:86:12: warning: variable 'two_to_onethird' set but not used [-Wunused-but-set-variable] 86 | double two_to_onethird; | ^~~~~~~~~~~~~~~ vosko.c:85:40: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 85 | double onesixth,onethird,fourthird,twothird; | ^~~~~~~~ vosko.c:85:30: warning: variable 'fourthird' set but not used [-Wunused-but-set-variable] 85 | double onesixth,onethird,fourthird,twothird; | ^~~~~~~~~ Compiling pbe_exchange.c... pbe_exchange.c: In function 'R_PBE96_Exchange': pbe_exchange.c:41:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 41 | double onethird,fourthird,twothird; | ^~~~~~~~ Compiling pbe_correlation.c... pbe_correlation.c: In function 'R_PBE96_Correlation': pbe_correlation.c:50:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 50 | double sevensixth; | ^~~~~~~~~~ pbe_correlation.c:49:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 49 | double onesixth; | ^~~~~~~~ Compiling revpbe_exchange.c... revpbe_exchange.c: In function 'R_revPBE_Exchange': revpbe_exchange.c:41:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 41 | double onethird,fourthird,twothird; | ^~~~~~~~ Compiling revpbe_correlation.c... revpbe_correlation.c: In function 'R_revPBE_Correlation': revpbe_correlation.c:52:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 52 | double sevensixth; | ^~~~~~~~~~ revpbe_correlation.c:51:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 51 | double onesixth; | ^~~~~~~~ Compiling becke_exchange.c... becke_exchange.c: In function 'R_Becke_Exchange': becke_exchange.c:61:13: warning: variable 'G2dr' set but not used [-Wunused-but-set-variable] 61 | double *G2dr; | ^~~~ becke_exchange.c:59:13: warning: variable 'G2' set but not used [-Wunused-but-set-variable] 59 | double *G2; | ^~ becke_exchange.c:39:41: warning: unused variable 'two_onethird' [-Wunused-variable] 39 | double rho_fourthirds,rho_onethird, two_onethird; | ^~~~~~~~~~~~ becke_exchange.c:37:24: warning: unused variable 'z1' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:21: warning: unused variable 'z2' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:18: warning: unused variable 'z3' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:15: warning: unused variable 'z4' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:12: warning: unused variable 'z5' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:36:21: warning: unused variable 'ddamp' [-Wunused-variable] 36 | double lap,damp,ddamp; | ^~~~~ becke_exchange.c:36:16: warning: unused variable 'damp' [-Wunused-variable] 36 | double lap,damp,ddamp; | ^~~~ becke_exchange.c:35:12: warning: unused variable 'norm' [-Wunused-variable] 35 | double norm; | ^~~~ Compiling lyp_correlation.c... lyp_correlation.c: In function 'R_LYP_Correlation': lyp_correlation.c:37:12: warning: unused variable 'norm' [-Wunused-variable] 37 | double norm; | ^~~~ lyp_correlation.c:27:12: warning: variable 'smallnumber' set but not used [-Wunused-but-set-variable] 27 | double smallnumber; | ^~~~~~~~~~~ Compiling hamann.c... Compiling troullier.c... hamann.c: In function 'solve_Hamann': hamann.c:455:5: warning: 'w1l_prime' may be used uninitialized [-Wmaybe-uninitialized] 455 | R_Screening_Cut(Vc); | ^~~~~~~~~~~~~~~~~~~ hamann.c:209:23: note: 'w1l_prime' was declared here 209 | double *w1l,*w1l_prime, | ^~~~~~~~~ troullier.c: In function 'solve_Troullier': troullier.c:191:20: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 191 | double al,amesh,rmax,Zion; | ^~~~~ Compiling xpansion.c... Compiling gaussj.c... gaussj.c: In function 'gaussj': gaussj.c:62:12: warning: 'icol' may be used uninitialized [-Wmaybe-uninitialized] 62 | if (irow != icol) | ^ gaussj.c:27:9: note: 'icol' was declared here 27 | int icol,irow; | ^~~~ gaussj.c:62:12: warning: 'irow' may be used uninitialized [-Wmaybe-uninitialized] 62 | if (irow != icol) | ^ gaussj.c:27:14: note: 'irow' was declared here 27 | int icol,irow; | ^~~~ Compiling vanderbilt.c... xpansion.c: In function 'get_c0_c10': xpansion.c:341:28: warning: 'ddelta' may be used uninitialized [-Wmaybe-uninitialized] 341 | ddelta = -fdnew*ddelta/(fdnew-fdold); | ~~~~~~^~~~~~~ xpansion.c:281:12: note: 'ddelta' was declared here 281 | double ddelta; | ^~~~~~ vanderbilt.c: In function 'solve_Vanderbilt': vanderbilt.c:209:20: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 209 | double al,amesh,Zion; | ^~~~~ xpansion.c: In function 'get_c0_c12': xpansion.c:434:28: warning: 'ddelta' may be used uninitialized [-Wmaybe-uninitialized] 434 | ddelta = -fdnew*ddelta/(fdnew-fdold); | ~~~~~~^~~~~~~ xpansion.c:376:12: note: 'ddelta' was declared here 376 | double ddelta; | ^~~~~~ Compiling xpansion2.c... xpansion2.c: In function 'dp_xpansion2': xpansion2.c:61:30: warning: variable 'r11' set but not used [-Wunused-but-set-variable] 61 | double r1,r2,r3,r5,r7,r9,r11; | ^~~ xpansion2.c: In function 'ddp_xpansion2': xpansion2.c:89:27: warning: variable 'r10' set but not used [-Wunused-but-set-variable] 89 | double r1,r2,r4,r6,r8,r10; | ^~~ xpansion2.c: In function 'dddp_xpansion2': xpansion2.c:115:27: warning: variable 'r9' set but not used [-Wunused-but-set-variable] 115 | double r1,r2,r3,r5,r7,r9; | ^~ xpansion2.c: In function 'ddddp_xpansion2': xpansion2.c:139:24: warning: variable 'r8' set but not used [-Wunused-but-set-variable] 139 | double r1,r2,r4,r6,r8; | ^~ Compiling psp1d.c... Compiling generate_rho_semicore.c... Compiling debug.c... Compiling rhamann.c... rhamann.c: In function 'Suggested_Param_RelHamann': rhamann.c:50:17: warning: unused variable 'itmp' [-Wunused-variable] 50 | int p, npsps, itmp; | ^~~~ Compiling rtroullier.c... rtroullier.c: In function 'solve_RelTroullier': rtroullier.c:173:14: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 173 | double al, amesh, rmax, Zion; | ^~~~~ rhamann.c: In function 'solve_RelHamann': rhamann.c:423:3: warning: 'w1l_prime' may be used uninitialized [-Wmaybe-uninitialized] 423 | R_Correlation_DFT (f, Vc, &ec, &pc); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ rhamann.c:193:17: note: 'w1l_prime' was declared here 193 | double *w1l, *w1l_prime, *w2l, *w2l_prime; | ^~~~~~~~~ Compiling rpsp.c... rpsp.c: In function 'init_RelPsp': rpsp.c:76:13: warning: unused variable 'tc' [-Wunused-variable] 76 | char *w, *tc; | ^~ rpsp.c:73:14: warning: unused variable 'p2' [-Wunused-variable] 73 | int p, p1, p2; | ^~ rpsp.c:73:10: warning: unused variable 'p1' [-Wunused-variable] 73 | int p, p1, p2; | ^~ rpsp.c: At top level: rpsp.c:53:23: warning: 'clocal' defined but not used [-Wunused-variable] 53 | static double rlocal, clocal; | ^~~~~~ rpsp.c:53:15: warning: 'rlocal' defined but not used [-Wunused-variable] 53 | static double rlocal, clocal; | ^~~~~~ Making all in paw_atom make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/pseudopotential/paw_atom' Compiling paw_atom_driver.c... paw_atom_driver.c: In function 'paw_atom_driver_': paw_atom_driver.c:116:11: warning: unused variable 'full_filename' [-Wunused-variable] 116 | char *full_filename = (char *) malloc(m9+25+5); | ^~~~~~~~~~~~~ paw_atom_driver.c:103:14: warning: unused variable 'argc' [-Wunused-variable] 103 | int argc; | ^~~~ paw_atom_driver.c:102:14: warning: unused variable 'comment' [-Wunused-variable] 102 | char comment[255]; | ^~~~~~~ paw_atom_driver.c:100:13: warning: unused variable 'fp' [-Wunused-variable] 100 | FILE *fp; | ^~ paw_atom_driver.c:99:16: warning: unused variable 'tc' [-Wunused-variable] 99 | char *w,*tc; | ^~ paw_atom_driver.c:99:13: warning: unused variable 'w' [-Wunused-variable] 99 | char *w,*tc; | ^ paw_atom_driver.c:96:32: warning: unused variable 'pi' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~ paw_atom_driver.c:96:26: warning: unused variable 'qchrg' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~~~~ paw_atom_driver.c:96:20: warning: unused variable 'fchrg' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~~~~ paw_atom_driver.c:96:14: warning: unused variable 'rchrg' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~~~~ paw_atom_driver.c:95:35: warning: unused variable 'e999' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~~ paw_atom_driver.c:95:31: warning: unused variable 'e99' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~ paw_atom_driver.c:95:21: warning: unused variable 'rcore' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~~~ paw_atom_driver.c:95:14: warning: unused variable 'r2well' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~~~~ paw_atom_driver.c:94:29: warning: unused variable 'pspxc' [-Wunused-variable] 94 | int pspdat,pspcode,pspxc; | ^~~~~ paw_atom_driver.c:94:21: warning: unused variable 'pspcode' [-Wunused-variable] 94 | int pspdat,pspcode,pspxc; | ^~~~~~~ paw_atom_driver.c:94:14: warning: unused variable 'pspdat' [-Wunused-variable] 94 | int pspdat,pspcode,pspxc; | ^~~~~~ paw_atom_driver.c:93:14: warning: unused variable 'n' [-Wunused-variable] 93 | int n[10]; | ^ paw_atom_driver.c:92:17: warning: unused variable 'xx' [-Wunused-variable] 92 | double r0,xx; | ^~ paw_atom_driver.c:92:14: warning: unused variable 'r0' [-Wunused-variable] 92 | double r0,xx; | ^~ paw_atom_driver.c:91:24: warning: unused variable 'lmaxp' [-Wunused-variable] 91 | int lmax,locp,lmaxp; | ^~~~~ paw_atom_driver.c:91:19: warning: unused variable 'locp' [-Wunused-variable] 91 | int lmax,locp,lmaxp; | ^~~~ paw_atom_driver.c:91:14: warning: unused variable 'lmax' [-Wunused-variable] 91 | int lmax,locp,lmaxp; | ^~~~ paw_atom_driver.c:89:18: warning: unused variable 'rmax' [-Wunused-variable] 89 | double drl,rmax; | ^~~~ paw_atom_driver.c:89:14: warning: unused variable 'drl' [-Wunused-variable] 89 | double drl,rmax; | ^~~ paw_atom_driver.c:88:7: warning: unused variable 'pspl' [-Wunused-variable] 88 | **pspl; | ^~~~ paw_atom_driver.c:87:7: warning: unused variable 'psil' [-Wunused-variable] 87 | **psil, | ^~~~ paw_atom_driver.c:86:66: warning: unused variable 'sc_drhol' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~~ paw_atom_driver.c:86:56: warning: unused variable 'sc_drho' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ paw_atom_driver.c:86:46: warning: unused variable 'sc_rhol' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ paw_atom_driver.c:86:37: warning: unused variable 'sc_rho' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~ paw_atom_driver.c:86:30: warning: unused variable 'tmp2' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~ paw_atom_driver.c:86:24: warning: unused variable 'tmp' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~ paw_atom_driver.c:86:19: warning: unused variable 'rl' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~ paw_atom_driver.c:85:27: warning: unused variable 'psp' [-Wunused-variable] 85 | double *rgrid,*psi,*psp; | ^~~ paw_atom_driver.c:85:22: warning: unused variable 'psi' [-Wunused-variable] 85 | double *rgrid,*psi,*psp; | ^~~ paw_atom_driver.c:85:15: warning: unused variable 'rgrid' [-Wunused-variable] 85 | double *rgrid,*psi,*psp; | ^~~~~ paw_atom_driver.c:84:20: warning: unused variable 'nrl' [-Wunused-variable] 84 | int Ngrid,nrl; | ^~~ paw_atom_driver.c:84:14: warning: unused variable 'Ngrid' [-Wunused-variable] 84 | int Ngrid,nrl; | ^~~~~ paw_atom_driver.c:83:22: warning: unused variable 'p1' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^~ paw_atom_driver.c:83:20: warning: unused variable 'p' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:83:18: warning: unused variable 'l' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:83:16: warning: unused variable 'k' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:83:14: warning: unused variable 'i' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:82:15: warning: unused variable 'nl' [-Wunused-variable] 82 | int *nl; | ^~ paw_atom_driver.c:80:12: warning: unused variable 'over_fourpi' [-Wunused-variable] 80 | double over_fourpi; | ^~~~~~~~~~~ paw_atom_driver.c:79:20: warning: unused variable 'zion' [-Wunused-variable] 79 | double zatom,zion; /* local psp parameters */ | ^~~~ paw_atom_driver.c:79:14: warning: unused variable 'zatom' [-Wunused-variable] 79 | double zatom,zion; /* local psp parameters */ | ^~~~~ paw_atom_driver.c:76:14: warning: variable 'rlocal_out' set but not used [-Wunused-but-set-variable] 76 | double rlocal_out; | ^~~~~~~~~~ paw_atom_driver.c:75:23: warning: variable 'locp_out' set but not used [-Wunused-but-set-variable] 75 | int lmax_out,locp_out; | ^~~~~~~~ paw_atom_driver.c:75:14: warning: variable 'lmax_out' set but not used [-Wunused-but-set-variable] 75 | int lmax_out,locp_out; | ^~~~~~~~ Compiling paw_atom.c... paw_atom.c: In function 'paw_init_paw_atom': paw_atom.c:316:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] 316 | double *rgrid; | ^~~~~ Compiling paw_basis.c... paw_basis.c: In function 'paw_init_paw_basis': paw_basis.c:116:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] 116 | double *rgrid; | ^~~~~ paw_basis.c: In function 'paw_generate_projectors_vanderbilt': paw_basis.c:645:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] 645 | double max_phi; | ^~~~~~~ paw_basis.c: In function 'paw_generate_projectors_blochl': paw_basis.c:854:14: warning: variable 'test_matrix' set but not used [-Wunused-but-set-variable] 854 | double **test_matrix; | ^~~~~~~~~~~ paw_basis.c:843:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] 843 | double max_phi; | ^~~~~~~ paw_basis.c: In function 'paw_scattering_test': paw_basis.c:1453:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] 1453 | int Ngrid; | ^~~~~ Compiling paw_scattering.c... paw_scattering.c: In function 'paw_solve_paw_scattering': paw_scattering.c:110:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] 110 | int Ngrid; | ^~~~~ Compiling paw_schrodin.c... Compiling paw_pauli.c... paw_pauli.c: In function 'paw_R_Pauli_Fixed_E': paw_pauli.c:356:5: warning: variable 'node' set but not used [-Wunused-but-set-variable] 356 | node, | ^~~~ Compiling paw_orbitals.c... paw_orbitals.c: In function 'paw_solve_scattering_orbitals': paw_orbitals.c:453:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] 453 | double *rgrid; | ^~~~~ Compiling paw_kinetic_energy.c... Compiling paw_potential.c... paw_orbitals.c: In function 'paw_print_orbitals_to_file': paw_orbitals.c:683:26: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 683 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~ paw_orbitals.c:683:23: note: assuming directive output of 8 bytes 683 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~ paw_orbitals.c:683:9: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 683 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_orbitals.c:691:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 691 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~ paw_orbitals.c:691:27: note: assuming directive output of 8 bytes 691 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~ paw_orbitals.c:691:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 691 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_orbitals.c:729:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 729 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~ paw_orbitals.c:729:27: note: assuming directive output of 8 bytes 729 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~ paw_orbitals.c:729:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 729 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_potential.c: In function 'paw_print_paw_potential_to_file': paw_potential.c:649:9: warning: pointer 'fp' used after 'fclose' [-Wuse-after-free] 649 | fclose(fp); | ^~~~~~~~~~ paw_potential.c:647:9: note: call to 'fclose' here 647 | fclose(fp); | ^~~~~~~~~~ paw_basis.c: In function 'paw_print_basis_to_file': paw_basis.c:1217:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 1217 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~ paw_basis.c:1217:27: note: assuming directive output of 8 bytes 1217 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~ paw_basis.c:1217:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 1217 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_basis.c: In function 'paw_print_basis_test_to_file': paw_basis.c:1299:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 1299 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~ paw_basis.c:1299:27: note: assuming directive output of 8 bytes 1299 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~ paw_basis.c:1299:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 1299 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Compiling paw_dirac_exchange.c... Compiling paw_vosko.c... Compiling paw_hartree.c... Compiling paw_core.c... Compiling paw_comp_charge.c... Compiling paw_ion.c... Compiling paw_matrix_elements.c... Compiling paw_pred_cor.c... Compiling paw_loggrid.c... Compiling paw_bisect.c... Compiling paw_error_function.c... Compiling paw_get_inverse.c... Compiling paw_my_constants.c... Compiling paw_utilities.c... Compiling paw_output.c... paw_output.c: In function 'paw_generate_basis_file': paw_output.c:39:14: warning: variable 'psi_ps0' set but not used [-Wunused-but-set-variable] 39 | double** psi_ps0; | ^~~~~~~ paw_output.c:26:12: warning: variable 'tmp' set but not used [-Wunused-but-set-variable] 26 | double tmp; | ^~~ Compiling paw_sdir.c... Compiling paw_my_memory.c... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/pseudopotential/paw_atom' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a paw_atom_driver.o paw_atom.o paw_basis.o paw_scattering.o paw_schrodin.o paw_pauli.o paw_orbitals.o paw_kinetic_energy.o paw_potential.o paw_dirac_exchange.o paw_vosko.o paw_hartree.o paw_core.o paw_comp_charge.o paw_ion.o paw_matrix_elements.o paw_pred_cor.o paw_loggrid.o paw_bisect.o paw_error_function.o paw_get_inverse.o paw_my_constants.o paw_utilities.o paw_output.o paw_sdir.o paw_my_memory.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/pseudopotential' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a psp_generator_input.o pspsolve.o hgh_parse.o cpi_parse.o teter_parse.o carter_parse.o qmmm_parse.o get_word.o name.o loggrid.o pred_cor.o spline.o grids.o atom.o schrodin.o pauli.o dirac.o zora.o dft.o hartree.o dirac_exchange.o perdew_wang.o perdew_zunger.o vosko.o pbe_exchange.o pbe_correlation.o revpbe_exchange.o revpbe_correlation.o becke_exchange.o lyp_correlation.o hamann.o troullier.o xpansion.o gaussj.o vanderbilt.o xpansion2.o psp1d.o generate_rho_semicore.o debug.o rhamann.o rtroullier.o rpsp.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/pseudopotential' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/pseudopotential' Making all in utilities make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/utilities' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/utilities' Making all in paw_utilities make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/utilities/paw_utilities' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/utilities/paw_utilities' Compiling nwpw_filefind.F... Compiling nwpw_scratch.F... Compiling nwpw_list.F... Compiling nwpw_scf_mixing.F... Compiling nwpw_spline.F... Compiling nwpw_interp.F... Compiling kerker_G.F... Compiling cpmd_properties.F... cpmd_properties.F:163:36: 31 | if (.not.btdb_get(rtdb,'nwpw:cpmd_properties',mt_log,1,doit)) | 2 ...... 163 | > mt_dbl,9,unita)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling nwpw_gaunt.F... Compiling nwpw_rdf.F... Compiling nwpw_compcharge.F... Compiling pair_dist.F... Compiling nwpw_gintegrals3.F... Compiling pair_dist2.F... Compiling nwpw_xc.F... nwpw_compcharge.F:1606:55: 974 | > dbl_mb(tmp(1))) | 2 ...... 1606 | call Parallel_shared_vector_zero(.true.,2*npack0,v_smooth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_compcharge.F:2098:34: 754 | call ycopy(nray,0.0d0,0,vlray,1) | 2 ...... 2098 | call ycopy(2*npack0,0.0d0,0,dng_smooth,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_compcharge.F:4276:72: 4276 | call ycopy(3*nion_paw,0.0d0,0,dbl_mb(fmult(1))) | 1 Warning: Missing actual argument for argument '_formal_74' at (1) Compiling pair_distab.F... pair_distab.F:61:43: 60 | call Parallel_Brdcst_values(MASTER,1,volume) | 2 61 | call Parallel_Brdcst_values(MASTER,9,unita) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling nwpw_vosko.F... Compiling auto_corr.F... Compiling nwpw_gga.F... Compiling generate_unfolded_xyz.F... Compiling matrix.f... Compiling nwpw_SpecialKummer.F... Compiling simp.F... Compiling nwpw_GaussBessel.F... Compiling is_sORd.F... Compiling nwpw_WGaussian.F... Compiling psi_filefind.F... Compiling nwpw_gauss_weights.F... Compiling v_psi_filefind.F... Compiling getfilling.F... Compiling CIF_write.F... nwpw_compcharge.F:1260:72: 1260 | > dbl_mb(tmp(1))) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:16: 1136 | integer Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:1262:72: 1262 | > dbl_mb(tmp(1)+1)) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:19: 1136 | integer Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:1264:72: 1264 | > dbl_mb(tmp(1)+2)) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:22: 1136 | integer Gx,Gy,Gz | ^ note: 'gz' was declared here Compiling densityofstates.F... Compiling MOTION_nframes.F... Compiling spdf_name.F... Compiling cell.F... Compiling cellgeometry.F... Compiling cpsi_data.F... cpsi_data.F:529:36: 286 | call ycopy(nsize,psi,1,dbl_mb(shift),1) | 2 ...... 529 | call ycopy(nbrill*neall*nsize,0.0d0,0,dbl_mb(indx1),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling psi_data.F... nwpw_compcharge.F:4476:72: 4476 | > dbl_mb(tmp(1))) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4373:44: 4373 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:4478:72: 4478 | > dbl_mb(tmp(1)+1)) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4373:47: 4373 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:4480:72: 4480 | > dbl_mb(tmp(1)+2)) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4373:50: 4373 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gz' was declared here Compiling butter.F... nwpw_compcharge.F:4728:72: 4728 | > dbl_mb(tmp(1))) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4644:33: 4644 | integer indx,indx1,indx2,Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:4730:72: 4730 | > dbl_mb(tmp(1)+1)) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4644:36: 4644 | integer indx,indx1,indx2,Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:4732:72: 4732 | > dbl_mb(tmp(1)+2)) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4644:39: 4644 | integer indx,indx1,indx2,Gx,Gy,Gz | ^ note: 'gz' was declared here Compiling print_elapsed_time.F... nwpw_compcharge.F:5438:72: 5438 | call Pack_tt_idot(0,dbl_mb(Gx),dbl_mb(gvtmp(1)),e1x) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:5348:44: 5348 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:5439:72: 5439 | call Pack_tt_idot(0,dbl_mb(Gy),dbl_mb(gvtmp(1)),e1y) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:5348:47: 5348 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:5440:72: 5440 | call Pack_tt_idot(0,dbl_mb(Gz),dbl_mb(gvtmp(1)),e1z) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:5348:50: 5348 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gz' was declared here Compiling log_integrate.F... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/utilities/paw_utilities' Compiling nwpw_parse.F... make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/utilities/paw_utilities' Compiling nwpw_matrix_invert.F... Compiling analysis_expansion_coef.F... analysis_expansion_coef.F:70:49: 65 | if (.not. btdb_put(rtdb,id,mt_int,1,lorb)) | 2 ...... 70 | if (.not. btdb_put(rtdb,id,mt_dbl,(lorb+1),b0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling nwpw_double_factorial.F... Compiling nwpw_kbpp_ray.F... Compiling nwpw_talker.c... nwpw_talker.c: In function 'nwpw_talker_': nwpw_talker.c:62:19: warning: unused variable 'valread' [-Wunused-variable] 62 | int sock = 0, valread; | ^~~~~~~ nwpw_talker.c: In function 'nwpw_listener_': nwpw_talker.c:250:19: warning: variable 'valread' set but not used [-Wunused-but-set-variable] 250 | int sock = 0, valread; | ^~~~~~~ Compiling nwpw_expression.F... nwpw_expression.F:79:60: 67 | value = btdb_put(rtdb,rtdb_name,mt_int,1,nemach) | 2 ...... 79 | value = value.and.btdb_put(rtdb,rtdb_name,mt_int,5*nc,code) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpw_expression.F:82:58: 67 | value = btdb_put(rtdb,rtdb_name,mt_int,1,nemach) | 2 ...... 82 | value = value.and.btdb_put(rtdb,rtdb_name,mt_dbl,nf,fconst) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). nwpw_expression.F:143:48: 63 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,nemach)) nemach = 0 | 2 ...... 143 | if (.not.btdb_get(rtdb,rtdb_name,mt_log,1,started)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling nwpw_emachine.c... nwpw_emachine.c: In function 'nwpw_gencode': nwpw_emachine.c:188:40: warning: unused variable 'tmpss' [-Wunused-variable] 188 | char lexpr[500],rexpr[500],tmps[10],tmpss[10]; | ^~~~~ nwpw_emachine.c:188:31: warning: unused variable 'tmps' [-Wunused-variable] 188 | char lexpr[500],rexpr[500],tmps[10],tmpss[10]; | ^~~~ nwpw_emachine.c: In function 'nwpw_emachine': nwpw_emachine.c:482:30: warning: unused variable 'arg4' [-Wunused-variable] 482 | Integer op,arg1,arg2,arg3,arg4,ln1,ln2; | ^~~~ nwpw_emachine.c: In function 'nwpw_fmachine': nwpw_emachine.c:673:30: warning: unused variable 'arg4' [-Wunused-variable] 673 | Integer op,arg1,arg2,arg3,arg4,ln1,ln2; | ^~~~ nwpw_emachine.c: In function 'nwpw_emachine_parse_': nwpw_emachine.c:971:8: warning: unused variable 'i' [-Wunused-variable] 971 | int i; | ^ Compiling BA_memory.F... Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a nwpw_gaunt.o nwpw_compcharge.o nwpw_gintegrals3.o nwpw_xc.o nwpw_vosko.o nwpw_gga.o nwpw_SpecialKummer.o nwpw_GaussBessel.o nwpw_WGaussian.o nwpw_gauss_weights.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/utilities/paw_utilities' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/utilities/paw_utilities' Compiling btdb.F... Compiling beom.F... Compiling task_paulsmatrix.F... Compiling nwpw_cosmo.F... nwpw_cosmo.F:49:50: 49 | if (.not.btdb_get(rtdb,'slv:cosmo',mt_log,1,cosmo_on)) | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). nwpw_cosmo.F:86:57: 86 | if (.not.btdb_get(rtdb,'cosmo:gcds',mt_dbl,1,gcds)) gcds = 0.0d0 | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:88:56: 88 | if (.not.btdb_get(rtdb,'cosmo:dielec',mt_dbl,1,dielec)) | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:134:34: 134 | > mt_dbl,1,qthresh)) then | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:144:34: 144 | > mt_dbl,1,qalpha)) then | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:180:61: 180 | if(.not.btdb_get(rtdb,'nwpw_cosmo:Qion',mt_dbl,1,Qion)) | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:182:61: 182 | if(.not.btdb_get(rtdb,'nwpw_cosmo:Qelc',mt_dbl,1,Qelc)) | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:256:58: 254 | value = btdb_put(rtdb,'nwpw_cosmo:Qt',mt_log,1,(Qt.and.Qt0)) | 2 255 | value = value.and. 256 | > btdb_put(rtdb,'nwpw_cosmo:Qion',mt_dbl,1,Qion) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling nwpw_born.F... nwpw_born.F:156:60: 148 | if (.not.btdb_get(rtdb,'nwpw:born_relax',mt_log,1,born_relax)) | 2 ...... 156 | if (.not.btdb_get(rtdb,'nwpw:born_dielec',mt_dbl,1,dielec)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling nwpw_cdft.F... nwpw_cdft.F:65:32: 51 | if (.not.btdb_get(rtdb,'nwpw:cdft',mt_log,1,cdft_on)) | 2 ...... 65 | > nion,dbl_mb(qcdft(1)))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling nwpw_fftpack3d.F... nwpw_fftpack3d.F:246:21: 50 | call dcffti(nz,tmp(tz)) | 2 ...... 246 | call dcffti(nz,tmp(tz)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:250:23: 54 | call jcopy(nz,A(indx),inc3c,tmp,1) | 2 ...... 250 | call jcopy(nz,A(indx),inc3c,tmp,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:250:37: 54 | call jcopy(nz,A(indx),inc3c,tmp,1) | 2 ...... 250 | call jcopy(nz,A(indx),inc3c,tmp,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:251:24: 55 | call dcfftb(nz,tmp,tmp(tz)) | 2 ...... 251 | call dcfftb(nz,tmp,tmp(tz)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:251:28: 55 | call dcfftb(nz,tmp,tmp(tz)) | 2 ...... 251 | call dcfftb(nz,tmp,tmp(tz)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:344:24: 175 | call dcfftf(ny,tmp,tmp(ty)) | 2 ...... 344 | call dcfftf(nx,tmp,tmp(tx)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:344:28: 175 | call dcfftf(ny,tmp,tmp(ty)) | 2 ...... 344 | call dcfftf(nx,tmp,tmp(tx)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/utilities' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/utilities' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a nwpw_filefind.o nwpw_scratch.o nwpw_list.o nwpw_scf_mixing.o nwpw_spline.o nwpw_interp.o kerker_G.o cpmd_properties.o nwpw_rdf.o pair_dist.o pair_dist2.o pair_distab.o auto_corr.o generate_unfolded_xyz.o matrix.o simp.o is_sORd.o psi_filefind.o v_psi_filefind.o getfilling.o CIF_write.o densityofstates.o MOTION_nframes.o spdf_name.o cell.o cellgeometry.o cpsi_data.o psi_data.o butter.o print_elapsed_time.o log_integrate.o nwpw_parse.o nwpw_matrix_invert.o analysis_expansion_coef.o nwpw_double_factorial.o nwpw_kbpp_ray.o nwpw_talker.o nwpw_expression.o nwpw_emachine.o BA_memory.o btdb.o beom.o task_paulsmatrix.o nwpw_cosmo.o nwpw_born.o nwpw_cdft.o nwpw_fftpack3d.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/utilities' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/utilities' Making all in unitcell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/unitcell' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/unitcell' Compiling simulation_cell_input.F... simulation_cell_input.F:411:49: 403 | if (.not. rtdb_put(rtdb,rtdb_name,mt_dbl,9,unita)) | 2 ...... 411 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,3,ngrid)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). simulation_cell_input.F:430:49: 403 | if (.not. rtdb_put(rtdb,rtdb_name,mt_dbl,9,unita)) | 2 ...... 430 | if (.not. rtdb_put(rtdb,rtdb_name,mt_dbl,1,box_delta)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/unitcell' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/unitcell' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a simulation_cell_input.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/unitcell' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/unitcell' Making all in brillouin_zone make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/brillouin_zone' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/brillouin_zone' Compiling brillouin_zone_input.F... brillouin_zone_input.F:157:26: 141 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 157 | > dbl_mb(kvs(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). brillouin_zone_input.F:272:49: 141 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 272 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,3,nn)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) brillouin_zone_input.F:416:49: 141 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 416 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,3,nn)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling brillioun.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/brillouin_zone' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/brillouin_zone' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a brillouin_zone_input.o brillioun.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/brillouin_zone' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/brillouin_zone' Making all in fractional make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/fractional' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/fractional' Compiling fractional.F... Compiling frac_occ_input.F... frac_occ_input.F:126:26: 106 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,norbs)) | 2 ...... 126 | > dbl_mb(occ(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling frac_occ.F... frac_occ.F:54:26: 31 | if (.not. btdb_get(rtdb,rtdb_name,mt_int,1,num_states)) | 2 ...... 54 | > dbl_mb(occ(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/fractional' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/fractional' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a fractional.o frac_occ_input.o frac_occ.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/fractional' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/fractional' Making all in linesearch make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/linesearch' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/linesearch' Compiling linesearch.F... Compiling Order_Values.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/linesearch' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/linesearch' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a linesearch.o Order_Values.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/linesearch' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/linesearch' Making all in timing make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/timing' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/timing' Compiling nwpw_timing.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/timing' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/timing' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a nwpw_timing.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/timing' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/timing' Making all in ewald make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ewald' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ewald' Compiling ewald.F... Compiling ewald_strfac.F... ewald.F:605:11: 605 | do i=ion_nion_qm(1)+1,ion_nion() | 1 Warning: More actual than formal arguments in procedure call at (1) ewald.F:955:52: 792 | > dcpl_mb(s(1))) | 2 ...... 955 | call Parallel_shared_vector_zero(.false.,nion,dbl_mb(fx(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ewald.F:1179:39: 364 | call ycopy(3*enpack,0.0d0,0,dbl_mb(eG(1)),1) | 2 ...... 1179 | call ycopy((2*enpack),0.0d0,0,dcpl_mb(strf(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ewald.F:1127:23: 1127 | integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) | ^ Warning: 'f[0]' may be used uninitialized [-Wmaybe-uninitialized] ewald.F:1694:23: 1694 | integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) | ^ Warning: 'f[0]' may be used uninitialized [-Wmaybe-uninitialized] ewald.F:2255:23: 2255 | integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) | ^ Warning: 'f[0]' may be used uninitialized [-Wmaybe-uninitialized] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ewald' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ewald' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a ewald.o ewald_strfac.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ewald' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ewald' Making all in thermostats make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/thermostats' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/thermostats' Compiling nose-hoover.F... nose-hoover.F:65:52: 62 | if (.not.btdb_get(rtdb,'cpmd:nose_restart',mt_log,1,nosers)) | 2 ...... 65 | if (.not.btdb_get(rtdb,'cpmd:Mchain',mt_int,1,Mchain)) Mchain = 1 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). nose-hoover.F:238:51: 237 | value = value.and.btdb_put(rtdb,'cpmd:eke0',mt_dbl,1,eke0_init) | 2 238 | > .and.btdb_put(rtdb,'cpmd:Mchain',mt_int,1,Mchain) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/thermostats' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/thermostats' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a nose-hoover.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/thermostats' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/thermostats' Making all in MetaDynamics make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/MetaDynamics' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/MetaDynamics' Compiling metadynamics_input.F... metadynamics_input.F:272:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 272 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:280:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 280 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:286:34: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 286 | > nparammeta,dbl_mb(parammeta(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). metadynamics_input.F:300:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 300 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:302:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 302 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:378:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 378 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:386:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 386 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:406:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 406 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:408:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 408 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:487:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 487 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:495:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 495 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:515:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 515 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:517:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 517 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:666:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 666 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:674:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 674 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:694:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 694 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:696:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 696 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:795:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 795 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:803:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 803 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:823:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 823 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:825:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 825 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:904:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 904 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:912:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 912 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:932:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 932 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:934:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 934 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1022:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1022 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1030:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1030 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1050:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1050 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1052:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1052 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1055:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1055 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1057:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1057 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1059:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1059 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metarayshift) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1061:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1061 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metaraycount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1064:49: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1064 | > rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetaprintcount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1146:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1146 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1154:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1154 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1174:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1174 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1176:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1176 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1288:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1288 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1296:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1296 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1316:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1316 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1318:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1318 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1402:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1402 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1410:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1410 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1430:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1430 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1432:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1432 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1510:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1510 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1518:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1518 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1538:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1538 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1540:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1540 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1696:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1696 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1704:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1704 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1724:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1724 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1726:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1726 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1802:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1802 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1810:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1810 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1830:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1830 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1832:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1832 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1955:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1955 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1963:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1963 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1983:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1983 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1985:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1985 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2066:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2066 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2074:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2074 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2094:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2094 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2096:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2096 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling metadynamics_aux.F... metadynamics_aux.F:227:14: 227 | C1 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:229:14: 229 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:243:20: 243 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:255:17: 255 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:306:14: 306 | C1 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:308:14: 308 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:336:20: 336 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:368:17: 368 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) Compiling metadynamics.F... metadynamics.F:71:51: 44 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,maxmetaprintcount)) | 2 ...... 71 | if (.not.btdb_get(rtdb,rtdb_name,mt_dbl,1,dTtempered)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). metadynamics.F:648:41: 625 | value= value.and.btdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 2 ...... 648 | > nxmeta_all,dbl_mb(ymeta(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/MetaDynamics' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/MetaDynamics' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a metadynamics_input.o metadynamics_aux.o metadynamics.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/MetaDynamics' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/MetaDynamics' Making all in TAMD make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/TAMD' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/TAMD' Compiling tamd_input.F... tamd_input.F:195:47: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 195 | value = rtdb_put(rtdb,rtdb_name,mt_log,1,zfixed) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tamd_input.F:320:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 320 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:328:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 328 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:348:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 348 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:350:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 350 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:452:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 452 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:460:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 460 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:480:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 480 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:482:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 482 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:585:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 585 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:593:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 593 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:613:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 613 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:615:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 615 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:800:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 800 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:808:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 808 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:828:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 828 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:830:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 830 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:950:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 950 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:958:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 958 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:978:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 978 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:980:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 980 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1084:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1084 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1092:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1092 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1112:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1112 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1114:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1114 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1202:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1202 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1210:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1210 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1230:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1230 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1232:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1232 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1235:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1235 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1237:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1237 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1239:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1239 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metarayshift) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1241:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1241 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metaraycount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1244:49: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1244 | > rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetaprintcount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1326:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1326 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1334:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1334 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1354:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1354 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1356:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1356 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1468:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1468 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1476:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1476 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1496:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1496 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1498:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1498 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1582:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1582 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1590:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1590 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1610:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1610 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1612:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1612 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1711:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1711 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1719:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1719 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1739:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1739 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1741:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1741 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1845:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1845 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1853:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1853 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1873:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1873 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1875:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1875 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2027:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2027 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2035:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2035 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2055:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2055 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2057:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2057 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2164:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2164 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2172:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2172 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2192:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2192 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2194:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2194 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tamd.F... tamd.F:66:51: 50 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,maxmetaprintcount)) | 2 ...... 66 | if (.not.btdb_get(rtdb,rtdb_name,mt_log,1,zfixed)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tamd.F:733:57: 707 | value= value.and.btdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 2 ...... 733 | > btdb_put(rtdb,rtdb_name,mt_dbl,nmeta,ztamd) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tamd.F:2356:72: 2356 | do i=1,ndim | ^ Warning: 'ndim' may be used uninitialized [-Wmaybe-uninitialized] tamd.F:2272:26: 2272 | integer i,s1,s2,ndim,nparam,nindx,ntype,count,sindx(10),sparam(10) | ^ note: 'ndim' declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/TAMD' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/TAMD' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a tamd_input.o tamd.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/TAMD' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/TAMD' Making all in FMM make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/FMM' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/FMM' Compiling fmm.F... fmm.F:378:46: 272 | call Parallel_Vector_SumAll(((lmax+1)**2)*(n*n*n),Mlm) | 2 ...... 378 | call Parallel_Vector_SumAll((lmax+1)**2,Llm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/FMM' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/FMM' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a fmm.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/FMM' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/FMM' Making all in md_xs make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/md_xs' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/md_xs' Making all in FEFF6L make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/md_xs/FEFF6L' Compiling md_xs_input.F... md_xs_input.F:125:50: 113 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,icenter) | 2 ...... 125 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,rmax) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_xs_input.F:183:50: 113 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,icenter) | 2 ...... 183 | > rtdb_put(rtdb,rtdb_name,mt_int,2,isteps) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling feff6Lib.F... Compiling md_xs.F... md_xs.F:1116:30: 994 | call ycopy(2*nr,0.0d0,0,chi_r,1) | 2 ...... 1116 | call ycopy(nkf0,0.0d0,0,dbl_mb(tchi(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). md_xs.F:127:36: 123 | > mt_dbl,1,temperature)) then | 2 ...... 127 | > mt_int,2,steps)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). md_xs.F:452:51: 450 | if (.not.btdb_get(rtdb,'md_xs:center',mt_int,1,center)) | 2 451 | > center = 1 452 | if (.not.btdb_get(rtdb,'md_xs:rmax',mt_dbl,1,rmax)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). feff6Lib.F:163:19: 163 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:9605:19: 9605 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:932:19: 932 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:12183:19: 12183 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:11719:19: 11719 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:1336:19: 1336 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, test, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:4014:19: 4014 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] md_xs.F:271:13: 271 | if (mc_algorithm.eq.0) then | ^ Warning: 'mc_algorithm' may be used uninitialized [-Wmaybe-uninitialized] md_xs.F:39:66: 39 | integer seed,mc_napply,mc_ngroups,mc_group_size,mc_algorithm | ^ note: 'mc_algorithm' was declared here feff6Lib.F:11527:72: 11527 | fz2 = fzn+20.0d0*(fz3-fzn)*(tlx-xbl+0.05d0) | ^ Warning: 'xbl' may be used uninitialized [-Wmaybe-uninitialized] feff6Lib.F:11512:15: 11512 | xbl = 0.05d0 * (xjbl-1.0d0) - 8.8d0 | ^ note: 'xbl' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/md_xs' feff6Lib.F:2111:72: 2111 | xk0 = delk * (i-1) + xkmin | ^ Warning: 'xkmin' may be used uninitialized [-Wmaybe-uninitialized] feff6Lib.F:2030:17: 2030 | xkmin = n * delk | ^ note: 'xkmin' was declared here make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/md_xs/FEFF6L' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a feff6Lib.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/md_xs/FEFF6L' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/md_xs/FEFF6L' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/md_xs' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a md_xs_input.o md_xs.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/md_xs' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/md_xs' Making all in nwpwxc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/nwpwxc' Compiling nwpwxc_block.F... Compiling nwpwxc_add.F... Compiling nwpwxc_query.F... Compiling nwpwxc_nwchem.F... nwpwxc_nwchem.F:256:33: 250 | status=status.and.rtdb_put(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 2 ...... 256 | > nwpwxc_cam_alpha) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). nwpwxc_nwchem.F:292:46: 250 | status=status.and.rtdb_put(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 2 ...... 292 | + nwpwxc_num_f,nwpwxc_ids) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_nwchem.F:295:48: 250 | status=status.and.rtdb_put(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 2 ...... 295 | + nwpwxc_usr_num,nwpwxc_usr_ids) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_nwchem.F:366:56: 320 | if (rtdb_get(rtdb,'int:cando_txs',mt_log,1,junk)) then | 2 ...... 366 | status=status.and.rtdb_get(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling nwpwxc_vdw3d.F... make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/nwpwxc' Compiling nwpwxc_eval.F... Compiling nwpwxc_x_att.F... Compiling nwpwxc_x_b88.F... Compiling nwpwxc_x_bnl.F... Compiling nwpwxc_x_camb88.F... Compiling nwpwxc_x_camlsd.F... Compiling nwpwxc_x_campbe.F... Compiling nwpwxc_x_cams12.F... Compiling nwpwxc_x_dirac.F... Compiling nwpwxc_x_gill.F... Compiling nwpwxc_x_hse08.F... Compiling nwpwxc_x_ft97.F... Compiling nwpwxc_x_m05.F... Compiling nwpwxc_x_m06.F... Compiling nwpwxc_x_m11.F... Compiling nwpwxc_x_opt.F... Compiling nwpwxc_x_pbe.F... Compiling nwpwxc_x_rpbe.F... Compiling nwpwxc_x_pkzb99.F... Compiling nwpwxc_x_s12.F... Compiling nwpwxc_x_sogga.F... Compiling nwpwxc_x_tpss03.F... Compiling nwpwxc_x_wpbe.F... Compiling nwpwxc_x_vs98.F... Compiling nwpwxc_c_b95.F... Compiling nwpwxc_c_ft97.F... Compiling nwpwxc_c_lyp.F... Compiling nwpwxc_c_m05.F... Compiling nwpwxc_c_m06.F... Compiling nwpwxc_c_m11.F... Compiling nwpwxc_c_opt.F... Compiling nwpwxc_c_p91.F... Compiling nwpwxc_c_p91_vwn5.F... Compiling nwpwxc_c_pw91lda.F... Compiling nwpwxc_c_sogga.F... Compiling nwpwxc_c_pbe.F... Compiling nwpwxc_c_Mpbe.F... Compiling nwpwxc_c_pkzb99.F... Compiling nwpwxc_c_tpss03.F... nwpwxc_c_tpss03.F:463:72: 463 | en = pbe*(1.d0 + ccc*xx2) | ^ Warning: 'ccc' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_c_tpss03.F:104:32: 104 | double precision zeta, ccc | ^ note: 'ccc' was declared here Compiling nwpwxc_c_vs98.F... Compiling nwpwxc_c_lsda.F... Compiling nwpwxc_c_vwn1.F... Compiling nwpwxc_c_vwn1_rpa.F... Compiling nwpwxc_c_vwn2.F... Compiling nwpwxc_c_vwn3.F... Compiling nwpwxc_c_vwn4.F... Compiling nwpwxc_c_vwn5.F... Compiling nwpwxc_c_op.F... Compiling nwpwxc_cs00.F... Compiling nwpwxc_vdw3b.F... Compiling nwpwxc_vdw3c.F... nwpwxc_vdw3b.F:1333:6: 1333 | FUNCTION nwpwxc_READAA(A,ISTART,IEND,IEND2) | ^ Warning: '__result_nwpwxc_readaa' is used uninitialized [-Wuninitialized] nwpwxc_vdw3c.F:3035:31: 3035 | subroutine nwpwxc_split(str,delims,before,sep) | 1 Warning: Interface mismatch in global procedure 'nwpwxc_split' at (1): INTENT mismatch in argument 'sep' nwpwxc_vdw3c.F:509:43: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 509 | if (np.gt.1) call GA_DGOP(9+MSGDBL,cc6ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:612:43: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 612 | if (np.gt.1) call GA_DGOP(9+MSGDBL,cc6ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:1311:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1311 | if (np.gt.1) call GA_DGOP(9+MSGDBL,sigma,9,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:1312:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1312 | if (np.gt.1) call GA_DGOP(9+MSGDBL,g,3*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:1736:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1736 | if (np.gt.1) call GA_DGOP(9+MSGDBL,c6save,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:1738:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1738 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6ij,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:2381:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2381 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6i,n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:2382:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2382 | if (np.gt.1) call GA_DGOP(9+MSGDBL,drij,drijsize,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-4) nwpwxc_vdw3c.F:2440:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2440 | if (np.gt.1) call GA_DGOP(9+MSGDBL,g,3*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:2483:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2483 | if (np.gt.1) call GA_DGOP(9+MSGDBL,sigma,9,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling nwpwxcP_xc_b97.c... nwpwxcP_xc_b97.c: In function 'nwpwxcp_c_b97_': nwpwxcP_xc_b97.c:551:21: warning: variable 'Gec_b0' set but not used [-Wunused-but-set-variable] 551 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ nwpwxcP_xc_b97.c:551:10: warning: variable 'Gec_a0' set but not used [-Wunused-but-set-variable] 551 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ Compiling nwpwxc_x_b97.F... nwpwxc_vdw3b.F:1137:9: 1137 | if(nl.lt.2)then | ^ Warning: 'nl' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3b.F:1109:23: 1109 | integer i,j,nn,nl | ^ note: 'nl' was declared here nwpwxcP_xc_b97.c:743:88: warning: 'Gec_b0_rb' may be used uninitialized [-Wmaybe-uninitialized] 743 | FC[ _FXC_RBGBB ] = ScalGGAC*(0.0 + Gec_b0_rb*Ggc_bb_gbb + 0.0 + ec_b0*Ggc_bb_rbgbb + 0.0 + Gec_ab_rb*Ggc_ab_gbb + 0.0 + ec_ab*Ggc_ab_rbgbb); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ nwpwxcP_xc_b97.c:553:10: note: 'Gec_b0_rb' was declared here 553 | double Gec_b0_rb,Gec_b0_rbrb; | ^~~~~~~~~ nwpwxcP_xc_b97.c:641:13: warning: 'Gec_a0_ra' may be used uninitialized [-Wmaybe-uninitialized] 641 | Gec_ab_ra = Gec_ab_ra - Gec_a0_ra; | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~ nwpwxcP_xc_b97.c:552:10: note: 'Gec_a0_ra' was declared here 552 | double Gec_a0_ra,Gec_a0_rara; | ^~~~~~~~~ Compiling nwpwxc_c_b97.F... Compiling nwpwxc_xc_kt1.F... Compiling nwpwxc_c_spbe.F... Compiling nwpwxc_x_ssbD_1.F... Compiling nwpwxc_c_perdew81.F... Compiling nwpwxc_c_perdew86.F... Compiling nwpwxc_x_pw91.F... Compiling nwpwxc_x_pw6.F... Compiling nwpwxc_x_b86b.F... Compiling nwpwxc_x_scan.F... ./build_dftd3a.sh Compiling nwpwxc_c_scan.F... nwpwxc_vdw3c.F:1082:53: 1082 | real*8, allocatable,dimension(:,:,:,:) :: drij !d(E)/d(r_ij) derivative wrt. dist. iat-jat | ^ Warning: 'drij.offset' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:53: Warning: 'drij.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:53: Warning: 'drij.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:53: Warning: 'drij.dim[3].stride' may be used uninitialized [-Wmaybe-uninitialized] using existing dftd3.tgz patching file nwpwxc_vdw3a.F Compiling nwpwxc_vdw3a.F... nwpwxc_vdw3a.F:1785:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1785 | if (np.gt.1) call GA_DGOP(9+MSGDBL,cc6ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:1786:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1786 | if (np.gt.1) call GA_DGOP(9+MSGDBL,r2ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:1787:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1787 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dmp,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2373:41: 1788 | if (np.gt.1) call GA_IGOP(9+MSGINT,icomp,n*n,'+') | 2 ...... 2373 | if (np.gt.1) call GA_IGOP(9+MSGINT,iabccalc,n*(n+1)/2,'+') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(2)). nwpwxc_vdw3a.F:2458:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2458 | if (np.gt.1) call GA_DGOP(9+MSGDBL,r2abc,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2459:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2459 | if (np.gt.1) call GA_DGOP(9+MSGDBL,r3abc,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2460:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2460 | if (np.gt.1) call GA_DGOP(9+MSGDBL,c6abc,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2461:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2461 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6ij,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3a.F:2564:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2564 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6i,n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2565:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2565 | if (np.gt.1) call GA_DGOP(9+MSGDBL,drij,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2605:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2605 | if (np.gt.1) call GA_DGOP(9+MSGDBL,g,3*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:2723:72: 2723 | edisp=-(e6+e8) | ^ Warning: 'e6' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:2581:24: 2581 | real*8 cn(n),i6,e6,e8,e10,edisp | ^ note: 'e6' was declared here nwpwxc_vdw3a.F:1966:72: 1966 | edisp=-(e6+e8) | ^ Warning: 'e6' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3a.F:1849:24: 1849 | real*8 cn(n),i6,e6,e8,e10,edisp | ^ note: 'e6' was declared here nwpwxc_vdw3a.F:395:19: 395 | if(minc6.and.j.lt.1)then | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3a.F:128:17: 128 | integer i,j,k,z,nn,iat,jat,i1,i2 | ^ note: 'j' was declared here nwpwxc_vdw3a.F:398:19: 398 | if(maxc6.and.k.lt.1)then | ^ Warning: 'k' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3a.F:128:19: 128 | integer i,j,k,z,nn,iat,jat,i1,i2 | ^ note: 'k' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/nwpwxc' nwpwxc_vdw3d.F:5:30: 5 | subroutine nwpwxc_copyc6(fname,maxc,max_elem,c6ab,maxci, | ^ note: variable tracking size limit exceeded with '-fvar-tracking-assignments', retrying without make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/nwpwxc' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a nwpwxc_block.o nwpwxc_add.o nwpwxc_query.o nwpwxc_nwchem.o nwpwxc_vdw3d.o nwpwxc_eval.o nwpwxc_x_att.o nwpwxc_x_b88.o nwpwxc_x_bnl.o nwpwxc_x_camb88.o nwpwxc_x_camlsd.o nwpwxc_x_campbe.o nwpwxc_x_cams12.o nwpwxc_x_dirac.o nwpwxc_x_gill.o nwpwxc_x_hse08.o nwpwxc_x_ft97.o nwpwxc_x_m05.o nwpwxc_x_m06.o nwpwxc_x_m11.o nwpwxc_x_opt.o nwpwxc_x_pbe.o nwpwxc_x_rpbe.o nwpwxc_x_pkzb99.o nwpwxc_x_s12.o nwpwxc_x_sogga.o nwpwxc_x_tpss03.o nwpwxc_x_wpbe.o nwpwxc_x_vs98.o nwpwxc_c_b95.o nwpwxc_c_ft97.o nwpwxc_c_lyp.o nwpwxc_c_m05.o nwpwxc_c_m06.o nwpwxc_c_m11.o nwpwxc_c_opt.o nwpwxc_c_p91.o nwpwxc_c_p91_vwn5.o nwpwxc_c_pw91lda.o nwpwxc_c_sogga.o nwpwxc_c_pbe.o nwpwxc_c_Mpbe.o nwpwxc_c_pkzb99.o nwpwxc_c_tpss03.o nwpwxc_c_vs98.o nwpwxc_c_lsda.o nwpwxc_c_vwn1.o nwpwxc_c_vwn1_rpa.o nwpwxc_c_vwn2.o nwpwxc_c_vwn3.o nwpwxc_c_vwn4.o nwpwxc_c_vwn5.o nwpwxc_c_op.o nwpwxc_cs00.o nwpwxc_vdw3b.o nwpwxc_vdw3c.o nwpwxcP_xc_b97.o nwpwxc_x_b97.o nwpwxc_c_b97.o nwpwxc_xc_kt1.o nwpwxc_c_spbe.o nwpwxc_x_ssbD_1.o nwpwxc_c_perdew81.o nwpwxc_c_perdew86.o nwpwxc_x_pw91.o nwpwxc_x_pw6.o nwpwxc_x_b86b.o nwpwxc_x_scan.o nwpwxc_c_scan.o nwpwxc_vdw3a.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/nwpwxc' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/nwpwxc' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib' Making all in libraryps make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/libraryps' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/libraryps' Compiling nwpw_library.F... nwpw_library.F:155:72: 155 | keyread=line(sqptr_l+1:sqptr_r-1) | ^ Warning: 'sqptr_r' may be used uninitialized [-Wmaybe-uninitialized] nwpw_library.F:116:38: 116 | integer l_lgth,i,sqptr_l,sqptr_r,k_lgth | ^ note: 'sqptr_r' was declared here Compiling nwpw_libfile.F... Compiling nwpw_set_library.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/libraryps' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/libraryps' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a nwpw_library.o nwpw_libfile.o nwpw_set_library.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpwlib.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/libraryps' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/libraryps' Making all in pspw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw' Compiling task_pspw.F... Making all in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib' Making all in psi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/psi' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/psi' Compiling dipole.F... Compiling dipole_efield.F... Compiling orthocheck.f... Compiling psi.F... Compiling psi_spin2.F... Compiling geodesic.F... Compiling geodesic2.F... Compiling Grassman.F... Grassman.F:805:21: 142 | call ycopy(2*n*nfft3d,A,1,C,1) | 2 ...... 805 | call ycopy(n*n,0.0d0,0,MM,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Grassman.F:805:29: 142 | call ycopy(2*n*nfft3d,A,1,C,1) | 2 ...... 805 | call ycopy(n*n,0.0d0,0,MM,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling psi_dmatrix.F... psi_dmatrix.F:338:20: 222 | call ycopy(n2ft3d*neall,psi_r,1,psi_r2,1) | 2 ...... 338 | call ycopy(nn,0.0d0,0,dbl_mb(v0(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psi_dmatrix.F:269:22: 222 | call ycopy(n2ft3d*neall,psi_r,1,psi_r2,1) | 2 ...... 269 | call ycopy(np_i,0.0d0,0,dbl_mb(maxsum0(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psi.F:5852:40: 5606 | > rho,dbl_mb(rho_ptr)) | 2 ...... 5852 | > dcpl_mb(psi2(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:5853:40: 5606 | > rho,dbl_mb(rho_ptr)) | 2 ...... 5853 | > dcpl_mb(psi1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:1151:43: 1151 | call Pack_c_Copy(1,dcpl_mb(psig_ptr),dbl_mb(psig_r(1))) | 1 ...... 12122 | call Pack_c_Copy(1,dcpl_mb(psii_ptr),orbi) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:1183:72: 1183 | > dbl_mb(hpsig_r(1)),dbl_mb(hpsie_r(1))) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:1202:72: 1202 | > dbl_mb(hpsie_r(1))) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:1234:72: 1234 | > dbl_mb(hpsig_r(1)),dbl_mb(hpsie_r(1))) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:1259:72: 1259 | > dbl_mb(hpsie_r(1))) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:1338:72: 1338 | > maxerror) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:3010:72: 3010 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,hpsig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:3033:72: 3033 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psie,psie_r,hpsie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:3138:33: 1152 | call Pack_c_unpack(1,dbl_mb(psig_r(1))) | 2 ...... 3138 | call Pack_c_unpack(0,vcc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:3139:33: 1153 | call D3dB_cr_fft3b(1,dbl_mb(psig_r(1))) | 2 ...... 3139 | call D3dB_cr_fft3b(1,vcc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:3253:28: 3140 | call D3dB_r_Copy(1,vcc,vcgg) | 2 ...... 3253 | call D3dB_r_Copy(1,vcee,vc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:3260:45: 3165 | call D3dB_rr_daxpy(1,-0.5d0,vcc,vcge) | 2 ...... 3260 | call D3dB_rr_daxpy(1,(-2.0d0*c1*c2),vctmp,vc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:3363:31: 3363 | call Pack_c_SMul(1,scal1,vc,dEdpsie) | 1 ...... 5048 | > dcpl_mb(psi_ptr+(i-1)*npack1), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:2216:72: 2216 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,hpsig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:2277:72: 2277 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,hpsig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:2323:28: 2323 | call D3dB_c_Copy(1,vcc,vcee) | 1 ...... 3028 | call D3dB_c_Copy(1,psihomo_r,psig_r) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:3456:72: 3456 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,h1psig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:3457:72: 3457 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psie,psie_r,h1psie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:2563:72: 2563 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,h1psig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:2564:72: 2564 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psie,psie_r,h1psie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:1940:72: 1940 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,dEdpsie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:1941:72: 1941 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psie,psie_r,h1psie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:3717:42: 3717 | > dbl_mb(v_field(1))) | 1 ...... 4333 | > 2*npack1,dcpl_mb(etmp(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:6628:42: 4492 | > dcpl_mb(psi1(1) +(i-1)*npack1), | 2 ...... 6628 | call Pack_cc_dot(0,dcpl_mb(dng1(1)),dbl_mb(vltmp(1)),elocal) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:10351:21: 4251 | call daxpy_omp(2*npack1,1.0d0,dcpl_mb(etmp(1)),1,Horb,1) | 2 ...... 10351 | > dbl_mb(rho0(1)),1,dbl_mb(rho2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:10351:39: 4251 | call daxpy_omp(2*npack1,1.0d0,dcpl_mb(etmp(1)),1,Horb,1) | 2 ...... 10351 | > dbl_mb(rho0(1)),1,dbl_mb(rho2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:11404:50: 10499 | > mt_log,1,psi_nogrid)) | 2 ...... 11404 | if (.not.btdb_get(rtdb,'dos:alpha',mt_dbl,1,alpha)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). psi.F:11982:38: 3133 | call D3dB_r_SMul1(1,scal1,rhogg) | 2 ...... 11982 | call D3dB_r_SMul1(1,scal2,dcpl_mb(dnij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11983:28: 3089 | call coulomb2_v(rhogg,vcgg) | 2 ...... 11983 | call coulomb2_v(dcpl_mb(dnij(1)),dcpl_mb(vij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11983:45: 3089 | call coulomb2_v(rhogg,vcgg) | 2 ...... 11983 | call coulomb2_v(dcpl_mb(dnij(1)),dcpl_mb(vij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11990:33: 3134 | call D3dB_rc_fft3f(1,rhogg) | 2 ...... 11990 | call D3dB_rc_fft3f(1,dcpl_mb(dnij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11991:31: 3135 | call Pack_c_pack(0,rhogg) | 2 ...... 11991 | call Pack_c_pack(0,dcpl_mb(dnij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11993:27: 3137 | call coulomb_v(rhogg,vcc) | 2 ...... 11993 | call coulomb_v(dcpl_mb(dnij(1)),dcpl_mb(vhij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11997:36: 3162 | call coulomb_screened_v(rhoge,vcc) | 2 ...... 11997 | call coulomb_screened_v(dcpl_mb(dnij(1)),dcpl_mb(vij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:12018:34: 3094 | call D3dB_rr_dot(1,rhogg,vcgg,ehartr) | 2 ...... 12018 | call D3dB_rr_dot(1,dcpl_mb(dnij(1)),dcpl_mb(vij(1)),e2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:12018:51: 3094 | call D3dB_rr_dot(1,rhogg,vcgg,ehartr) | 2 ...... 12018 | call D3dB_rr_dot(1,dcpl_mb(dnij(1)),dcpl_mb(vij(1)),e2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling psi_read.F... psi_read.F:93:25: 92 | call iread(5,version,1) | 2 93 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:96:25: 92 | call iread(5,version,1) | 2 ...... 96 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:117:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 117 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:123:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 123 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:290:22: 92 | call iread(5,version,1) | 2 ...... 290 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:293:22: 92 | call iread(5,version,1) | 2 ...... 293 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:301:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 301 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:307:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 307 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:472:22: 92 | call iread(5,version,1) | 2 ...... 472 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:475:22: 92 | call iread(5,version,1) | 2 ...... 475 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:483:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 483 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:489:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 489 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:655:22: 92 | call iread(5,version,1) | 2 ...... 655 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:658:22: 92 | call iread(5,version,1) | 2 ...... 658 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:667:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 667 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:673:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 673 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi.F:10902:72: 10902 | return | ^ Warning: '__result_psi_2epsi_gradients' is used uninitialized [-Wuninitialized] psi.F:10847:42: 10847 | logical function psi_2epsi_gradients(gn) | ^ note: '__result_psi_2epsi_gradients' was declared here Compiling psi_write.F... psi_write.F:105:26: 104 | call iwrite(6,version,1) | 2 105 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:108:26: 104 | call iwrite(6,version,1) | 2 ...... 108 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:264:26: 104 | call iwrite(6,version,1) | 2 ...... 264 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:267:26: 104 | call iwrite(6,version,1) | 2 ...... 267 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:425:26: 104 | call iwrite(6,version,1) | 2 ...... 425 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:428:26: 104 | call iwrite(6,version,1) | 2 ...... 428 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:583:26: 104 | call iwrite(6,version,1) | 2 ...... 583 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:586:26: 104 | call iwrite(6,version,1) | 2 ...... 586 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rho_write.F... rho_write.F:90:26: 89 | call iwrite(6,version,1) | 2 90 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rho_read.F... rho_read.F:82:25: 81 | call iread(5,version,1) | 2 82 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rho_read.F:104:56: 95 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 104 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling v_psi_read.F... v_psi_read.F:89:22: 88 | call iread(5,version,1) | 2 89 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_read.F:92:22: 88 | call iread(5,version,1) | 2 ...... 92 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_read.F:100:56: 98 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 99 | msglen = 3 100 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_read.F:107:56: 98 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 107 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling v_psi_write.F... v_psi_write.F:101:26: 100 | call iwrite(6,version,1) | 2 101 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_write.F:104:26: 100 | call iwrite(6,version,1) | 2 ...... 104 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi.F:2954:27: 2954 | real*8 ehfx,phfx,Eion | ^ Warning: 'eion' may be used uninitialized [-Wmaybe-uninitialized] Compiling psi_new.F... psi_new.F:138:42: 134 | > 'nwpw:lcao_iterations',mt_int,1,lcao_iterations)) | 2 ...... 138 | > 'nwpw:lcao_print',mt_log,1,lcao_print)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). psi.F:2514:27: 2514 | real*8 ehfx,phfx,Eion | ^ Warning: 'eion' may be used uninitialized [-Wmaybe-uninitialized] Compiling v_psi_new.F... Compiling psi_history.F... Compiling psi_write_filename.F... psi_write_filename.F:92:26: 91 | call iwrite(6,version,1) | 2 92 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write_filename.F:95:26: 91 | call iwrite(6,version,1) | 2 ...... 95 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write_filename.F:243:26: 91 | call iwrite(6,version,1) | 2 ...... 243 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write_filename.F:246:26: 91 | call iwrite(6,version,1) | 2 ...... 246 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psi_read_filename.F... psi_read_filename.F:76:22: 75 | call iread(5,version,1) | 2 76 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:79:22: 75 | call iread(5,version,1) | 2 ...... 79 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:87:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 86 | msglen = 3 87 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:93:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 93 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:235:25: 75 | call iread(5,version,1) | 2 ...... 235 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:238:25: 75 | call iread(5,version,1) | 2 ...... 238 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:259:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 259 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:265:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 265 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling polarizability.F... Compiling berry_phase_pol.F... Compiling rho_symmetrizer.F... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/psi' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/psi' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a dipole.o dipole_efield.o orthocheck.o psi.o psi_spin2.o geodesic.o geodesic2.o Grassman.o psi_dmatrix.o psi_read.o psi_write.o rho_write.o rho_read.o v_psi_read.o v_psi_write.o psi_new.o v_psi_new.o psi_history.o psi_write_filename.o psi_read_filename.o polarizability.o berry_phase_pol.o rho_symmetrizer.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/psi' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/psi' Making all in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/electron' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/electron' Compiling psi_H.F... psi_H.F:113:42: 107 | > dbl_mb(Hpsi_r(1))) | 2 ...... 113 | > 2*nfft3d,dcpl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling psi_Hv4.F... psi_H.F:583:72: 583 | call D3dB_r_Zero(1,dbl_mb(Horb_r(1))) | ^ Warning: 'horb_r' may be used uninitialized [-Wmaybe-uninitialized] psi_H.F:555:31: 555 | integer vpsi(2),Horb_r(2) | ^ note: 'horb_r' declared here psi_H.F:755:72: 755 | call D3dB_r_Zero(1,dbl_mb(Horb_r(1))) | ^ Warning: 'horb_r' may be used uninitialized [-Wmaybe-uninitialized] psi_H.F:726:31: 726 | integer vpsi(2),Horb_r(2) | ^ note: 'horb_r' declared here psi_Hv4.F:112:39: 104 | > dbl_mb(Hpsi_r(1))) | 2 ...... 112 | > dcpl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi_Hv4.F:611:34: 608 | call ycopy(n2ft3d,0.0d0,0,dbl_mb(Horb_r(1)),1) | 2 ...... 611 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(vpsi(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling electron.F... electron.F:2375:25: 2143 | call Pack_c_Copy(1,psi_k(1+(n-1)*npack1), | 2 ...... 2375 | call Pack_c_Copy(0,dbl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2375:41: 2144 | > dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 2375 | call Pack_c_Copy(0,dbl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). electron.F:477:22: 477 | > dbl_mb(xce(1)), | 1 ...... 977 | > dcpl_mb(vc(1)), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2475:29: 2450 | > call D3dB_rr_Sum2(1,dbl_mb(v_field(1)),dbl_mb(vall(1))) | 2 ...... 2475 | call D3dB_rr_Sum2(1,dcpl_mb(vc(1)),dbl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). electron.F:2636:28: 1369 | > dcpl_mb(Hpsi_k(1)), | 2 ...... 2636 | > 4*nfft3d,dbl_mb(vall(1)),vall_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2636:44: 1370 | > Hpsi_k_new) | 2 ...... 2636 | > 4*nfft3d,dbl_mb(vall(1)),vall_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2775:51: 2200 | call Parallel_shared_vector_zero(.true.,2*n2ft3d,dn) | 2 ...... 2775 | > 2*npack0,dcpl_mb(vc(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/electron' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/electron' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a psi_H.o psi_Hv4.o electron.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/electron' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/electron' Making all in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/ke' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/ke' Compiling ke.F... ke.F:476:72: 476 | if (.not. value) call errquit('out of stack memory',0) | 1 Warning: Missing actual argument for argument '_formal_10' at (1) ke.F:557:72: 557 | if (.not. value) call errquit('error popping stack memory',0) | 1 Warning: Missing actual argument for argument '_formal_10' at (1) make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/ke' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/ke' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a ke.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/ke' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/ke' Making all in coulomb make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/coulomb' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/coulomb' Compiling coulomb.F... Compiling coulomb2.F... coulomb2.F:399:27: 285 | call D3dB_rc_fft3f(2,dbl_mb(glr(1))) | 2 ...... 399 | call D3dB_rc_fft3f(2,dcpl_mb(tmpx(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling coulomb_screened.F... coulomb_screened.F:83:32: 82 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 83 | call ycopy(nfft3d,0.0d0,0,dbl_mb(gk2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). coulomb_screened.F:801:72: 801 | call sub_coulomb_screened_init_print(dcpl_mb(tmp1(1)),rcut,pp) | 1 Warning: Type mismatch in argument 'vc' at (1); passed COMPLEX(8) to REAL(8) coulomb_screened.F:1051:24: 82 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 ...... 1051 | call ycopy(n2ft3d,dcpl_mb(gk(1)), 1,dbl_mb(gr(1)), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). coulomb_screened.F:1080:32: 149 | call D3dB_r_SMul1(1,scal1,dcpl_mb(gk(1))) | 2 ...... 1080 | call D3dB_r_SMul1(1,scal1,dbl_mb(gr(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling coulomb_screened_small.F... coulomb_screened_small.F:83:32: 82 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 83 | call ycopy(nfft3d,0.0d0,0,dbl_mb(gk2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). coulomb_screened_small.F:521:25: 471 | call Pack_ct_Sqr(2,dng,dbl_mb(tmp1(1))) | 2 ...... 521 | call Pack_ct_Sqr(2,dng,real_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(4)/COMPLEX(8)). coulomb_screened_small.F:521:29: 471 | call Pack_ct_Sqr(2,dng,dbl_mb(tmp1(1))) | 2 ...... 521 | call Pack_ct_Sqr(2,dng,real_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/REAL(8)). coulomb_screened_small.F:522:25: 472 | call Pack_tt_dot(2,dbl_mb(tmp1(1)),dbl_mb(vc_indx),ec) | 2 ...... 522 | call Pack_tt_dot(2,real_mb(tmp1(1)),real_mb(svc_indx),ec) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/REAL(8)). coulomb_screened_small.F:522:42: 472 | call Pack_tt_dot(2,dbl_mb(tmp1(1)),dbl_mb(vc_indx),ec) | 2 ...... 522 | call Pack_tt_dot(2,real_mb(tmp1(1)),real_mb(svc_indx),ec) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/REAL(8)). coulomb_screened_small.F:522:60: 472 | call Pack_tt_dot(2,dbl_mb(tmp1(1)),dbl_mb(vc_indx),ec) | 2 ...... 522 | call Pack_tt_dot(2,real_mb(tmp1(1)),real_mb(svc_indx),ec) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/REAL(8)). Compiling coulomb_filter.F... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/coulomb' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/coulomb' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a coulomb.o coulomb2.o coulomb_screened.o coulomb_screened_small.o coulomb_filter.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/coulomb' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/coulomb' Making all in exchange-correlation make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/exchange-correlation' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/exchange-correlation' Making all in vdw-DF make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' make[8]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' Compiling v_bwexc_all.F... Compiling v_exc.F... Compiling v_dirac.F... Compiling v_mexc.F... Compiling v_bwexc.F... v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:85:72: 85 | tmp(1) = fdn(1) | ^ Warning: 'fdn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:33: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fdn' declared here v_bwexc.F:324:72: 324 | rhoup(1) = grad(1) | ^ Warning: 'grad' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:41:30: 41 | integer grad(2) | ^ note: 'grad' declared here v_bwexc.F:328:72: 328 | fn(1) = xfn(1) | ^ Warning: 'xfn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:42:28: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfn' declared here Compiling v_bwexc_euv.F... Compiling nwpw_meta_gga.F... v_bwexc_euv.F:94:72: 94 | tmp(1) = fdn(1) | ^ Warning: 'fdn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc_euv.F:36:33: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2),xce(2) | ^ note: 'fdn' declared here v_bwexc_euv.F:394:72: 394 | fn(1) = xfn(1) | ^ Warning: 'xfn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc_euv.F:42:28: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfn' declared here nwpw_meta_gga.F:163:39: 45 | > dbl_mb(dfdtau(1))) | 2 ...... 163 | > dcpl_mb(dpsi(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_meta_gga.F:290:36: 190 | call D3dB_r_Zero_Ends(1,dbl_mb(tau(1)+(ms-1)*n2ft3d)) | 2 ...... 290 | call D3dB_r_Zero_Ends(1,dcpl_mb(dpsi(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pbe96.f... Compiling pbesol.f... Compiling revpbe.f... Compiling vdw-DF.F... Compiling blyp.f... vdw-DF.F:609:43: 609 | call D1dB_Vector_SumAll(2*Nqs*nfft3d,ufunc) | 1 ...... 683 | call D1dB_Vector_SumAll(n2ft3d,tmpexc) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). vdw-DF.F:358:72: 358 | > dbl_mb(theta(1)),dbl_mb(ufunc(1))) | 1 Warning: Type mismatch in argument 'theta' at (1); passed REAL(8) to COMPLEX(8) vdw-DF.F:358:72: 358 | > dbl_mb(theta(1)),dbl_mb(ufunc(1))) | 1 Warning: Type mismatch in argument 'ufunc' at (1); passed REAL(8) to COMPLEX(8) Compiling vdw_DF_kernel.F... Compiling b3lyp.F... Compiling vdw_DF_get_qmesh_filename.F... Compiling bnl2007_x.F... Compiling hsepbe.F... make[8]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' Compiling beef_gga.f... make[8]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' Compiling pw92c.f... Compiling vs98.f... Compiling tpss03.f... Compiling scan.f... Compiling r2scan.f... Compiling pw91c.f... Compiling pbe96x.f... Compiling pbe96c.f... Compiling m06.f... Compiling m06-l.f... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/exchange-correlation' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a vdw-DF.o vdw_DF_kernel.o vdw_DF_get_qmesh_filename.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a make[8]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/exchange-correlation' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a v_bwexc_all.o v_exc.o v_dirac.o v_mexc.o v_bwexc.o v_bwexc_euv.o nwpw_meta_gga.o pbe96.o pbesol.o revpbe.o blyp.o b3lyp.o bnl2007_x.o hsepbe.o beef_gga.o pw92c.o vs98.o tpss03.o scan.o r2scan.o pw91c.o pbe96x.o pbe96c.o m06.o m06-l.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/exchange-correlation' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/exchange-correlation' Making all in sic make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/sic' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/sic' Compiling pspw_sic.F... pspw_sic.F:92:37: 34 | if (.not.btdb_get(rtdb,'pspw:SIC_all',mt_log,1,sicall)) | 2 ...... 92 | > mt_dbl,1,rcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/sic' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/sic' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a pspw_sic.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/sic' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/sic' Making all in hfx make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/hfx' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/hfx' Compiling pspw_hfx.F... Compiling pspw_shfx.F... pspw_hfx.F:99:37: 46 | if (.not.btdb_get(rtdb,'pspw:HFX',mt_log,1,hfx_on)) | 2 ...... 99 | > mt_dbl,1,rcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). pspw_shfx.F:946:72: 946 | > real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:948:72: 948 | > real_mb(vij(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:950:72: 950 | > real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:952:72: 952 | > real_mb(tmp2(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:993:35: 993 | call D3dBs_r_SMul1(1,hfx_parameter,real_mb(vij(1))) | 1 ...... 1530 | call D3dBs_r_SMul1(1,scal2,real_mb(dn(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/REAL(4)). pspw_shfx.F:795:72: 795 | > 2*n2ft3d,real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:797:72: 797 | > n2ft3d,real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:403:72: 403 | > n2ft3d,real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:405:72: 405 | > n2ft3d,real_mb(vij(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:407:72: 407 | > n2ft3d,real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:409:72: 409 | > n2ft3d,real_mb(tmp2(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1106:72: 1106 | > n2ft3d,real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1108:72: 1108 | > n2ft3d,real_mb(vij(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1110:72: 1110 | > n2ft3d,real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:39:72: 39 | > real_mb(Hpsi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:121:72: 121 | > real_mb(psi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:182:72: 182 | > real_mb(psi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:258:72: 258 | > real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:260:72: 260 | > real_mb(vij(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:262:72: 262 | > real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1367:72: 1367 | > real_mb(Hpsi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_114' at (1) pspw_shfx.F:1373:23: 103 | > Hpsi_r(1+(ms-1)*neq(1)*n2ft3d),1) | 2 ...... 1373 | > Horb_r,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/REAL(4)). pspw_shfx.F:1376:72: 1376 | call pspw_potential_sHFX_orb_sub(ms,psi_r,orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to REAL(4) pspw_shfx.F:1376:72: 1376 | call pspw_potential_sHFX_orb_sub(ms,psi_r,orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'orb_r' at (1); passed REAL(8) to REAL(4) pspw_shfx.F:1376:72: 1376 | call pspw_potential_sHFX_orb_sub(ms,psi_r,orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'horb_r' at (1); passed REAL(8) to REAL(4) pspw_shfx.F:1418:72: 1418 | > real_mb(psi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1420:72: 1420 | > real_mb(Hpsi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) Compiling pspw_hfx_localized.F... pspw_hfx_localized.F:306:23: 296 | > psi_r,1, | 2 ...... 306 | > psi1,1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_hfx_localized.F:481:36: 296 | > psi_r,1, | 2 ...... 481 | call ycopy(3*(ne(1)+ne(2)),0.0d0,0,dbl_mb(rwav(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_hfx_localized.F:727:53: 293 | call Dneall_mm_transpose(0,dbl_mb(rotmat21(1)),dcpl_mb(A(1))) | 2 ...... 727 | call Dneall_mm_transpose(0,dbl_mb(tmat1(1)),dbl_mb(tmat2(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_hfx_localized.F:732:36: 300 | > dcpl_mb(A(1)),1.0d0, | 2 ...... 732 | > dbl_mb(tmat2(1)), 1.0d0, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_hfx_localized.F:131:72: 131 | xx=xx+bmat(j,1)*ixmat(j,i) | ^ Warning: 'ixmat' is used uninitialized [-Wuninitialized] pspw_hfx_localized.F:75:28: 75 | real*8 b(3),ixmat(3,6) | ^ note: 'ixmat' declared here make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/hfx' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/hfx' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a pspw_hfx.o pspw_shfx.o pspw_hfx_localized.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/hfx' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/hfx' Making all in ion make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/ion' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/ion' Compiling ion_ion.F... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/ion' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/ion' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a ion_ion.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/ion' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/ion' Making all in psp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/psp' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/psp' Compiling MOTION.F... Compiling psp.F... Compiling psp_olddebug.F... Compiling psp_cmp_dE_Qlm.F... psp_olddebug.F:227:72: 227 | > dbl_mb(sum(1)+3*(n-1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp_olddebug.F:35:18: 35 | integer G(3),npack1,nion,nu | ^ note: 'g[0]' was declared here psp_olddebug.F:229:72: 229 | > dbl_mb(sum(1)+1+3*(n-1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp_olddebug.F:35:18: 35 | integer G(3),npack1,nion,nu | ^ note: 'g[1]' was declared here psp_olddebug.F:231:72: 231 | > dbl_mb(sum(1)+2+3*(n-1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp_olddebug.F:35:18: 35 | integer G(3),npack1,nion,nu | ^ note: 'g[2]' was declared here psp.F:4339:22: 4337 | call iread(5,psp_type,1) | 2 4338 | call iread(5,version,1) 4339 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4342:22: 4340 | call dread(5,unita,9) | 2 4341 | call cread(5,atom,2) 4342 | call dread(5,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4343:22: 4340 | call dread(5,unita,9) | 2 ...... 4343 | call dread(5,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4353:22: 4337 | call iread(5,psp_type,1) | 2 ...... 4353 | call iread(5,n_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4354:22: 4337 | call iread(5,psp_type,1) | 2 ...... 4354 | call iread(5,l_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4355:22: 4337 | call iread(5,psp_type,1) | 2 ...... 4355 | call iread(5,m_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4356:22: 4337 | call iread(5,psp_type,1) | 2 ...... 4356 | call iread(5,b_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4365:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4365 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4372:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4372 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,iatom) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4377:55: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4377 | call Parallela_Brdcst_values(com_p,MASTER,msglen,amass) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4379:55: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4379 | call Parallela_Brdcst_values(com_p,MASTER,msglen,zv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4398:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4398 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4399:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4399 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,l_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4400:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4400 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,m_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4401:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4401 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,b_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4423:40: 4340 | call dread(5,unita,9) | 2 ...... 4423 | if (version.eq.4) call dread(5,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4424:22: 4340 | call dread(5,unita,9) | 2 ...... 4424 | call dread(5,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4427:55: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4427 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rlocal) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4429:55: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4429 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rcore) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4473:45: 4340 | call dread(5,unita,9) | 2 ...... 4473 | if (taskid_p.eq.MASTER) call dread(5,core_kin_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4474:45: 4340 | call dread(5,unita,9) | 2 ...... 4474 | if (taskid_p.eq.MASTER) call dread(5,core_ion_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4477:37: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4477 | > core_kin_energy) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4479:37: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4479 | > core_ion_energy) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4484:24: 4340 | call dread(5,unita,9) | 2 ...... 4484 | call dread(5,log_amesh,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4485:24: 4340 | call dread(5,unita,9) | 2 ...... 4485 | call dread(5,r1,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4486:24: 4340 | call dread(5,unita,9) | 2 ...... 4486 | call dread(5,rmax,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4487:24: 4340 | call dread(5,unita,9) | 2 ...... 4487 | call dread(5,sigma,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4488:24: 4340 | call dread(5,unita,9) | 2 ...... 4488 | call dread(5,zion,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4493:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4493 | call Parallela_Brdcst_values(com_p,MASTER,msglen,log_amesh) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4494:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4494 | call Parallela_Brdcst_values(com_p,MASTER,msglen,r1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4495:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4495 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rmax) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4496:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4496 | call Parallela_Brdcst_values(com_p,MASTER,msglen,sigma) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4497:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4497 | call Parallela_Brdcst_values(com_p,MASTER,msglen,zion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4515:45: 4337 | call iread(5,psp_type,1) | 2 ...... 4515 | if (taskid_p.eq.MASTER) call iread(5,nae,n1dbasis) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4516:60: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4516 | call Parallela_Brdcst_ivalues(com_p,MASTER,n1dbasis,nae) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4518:45: 4337 | call iread(5,psp_type,1) | 2 ...... 4518 | if (taskid_p.eq.MASTER) call iread(5,nps,n1dbasis) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4519:60: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4519 | call Parallela_Brdcst_ivalues(com_p,MASTER,n1dbasis,nps) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4521:45: 4337 | call iread(5,psp_type,1) | 2 ...... 4521 | if (taskid_p.eq.MASTER) call iread(5,lps,n1dbasis) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4522:60: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4522 | call Parallela_Brdcst_ivalues(com_p,MASTER,n1dbasis,lps) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:1968:55: 1968 | call Parallel_shared_vector_zero(.true.,2*npack0,vl_out) | 1 ...... 3635 | call Parallel_shared_vector_zero(.true.,nn*nprj,sw2) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psp.F:2047:42: 1887 | if (np_j.gt.1) call D1dB_Vector_SumAll(n2ft3d_map,vlr_out) | 2 ...... 2047 | call D1dB_Vector_SumAll(2*npack0,vl_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psp.F:2941:36: 218 | call ycopy(npsp*npack0, 0.0d0,0,dbl_mb(vl(1)), 1) | 2 ...... 2941 | call ycopy((2*npack0),0.0d0,0,dcpl_mb(vtmp(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psp.F:4812:72: 4812 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) Compiling paw.F... Compiling psp_stress.F... psp_stress.F:558:22: 557 | call iread(5,version,1) | 2 558 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp_stress.F:567:56: 565 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 566 | msglen = 3 567 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp_stress.F:705:72: 705 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) paw.F:379:72: 379 | > dbl_mb(psp_fmm_Mlm(1)),1) | 1 Warning: More actual than formal arguments in procedure call at (1) paw.F:591:56: 374 | call Parallel_shared_vector_zero(.true.,3*nion,dbl_mb(ftmp(1))) | 2 ...... 591 | call Parallel_shared_vector_zero(.false.,2*npack0,vl_paw) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw.F:287:56: 287 | if (np_j.gt.1) call D1dB_Vector_SumAll(n2ft3d_map,vlr_paw) | 1 ...... 642 | call D1dB_Vector_SumAll(2*npack0,vl_paw) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:1156:36: 856 | call ycopy(3*nion,0.0d0,0,dbl_mb(ftmp(1)),1) | 2 ...... 1156 | call ycopy((4*npack0),0.0d0,0,vlpaw_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw.F:2928:50: 2863 | call nwpw_compcharge_gen_dn_cmp(ispin,dcpl_mb(dng_cmp(1))) | 2 ...... 2928 | call nwpw_compcharge_gen_dn_cmp(ispin,dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2931:25: 2865 | call v_local(dcpl_mb(vl1(1)), | 2 ...... 2931 | call v_local(dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2934:31: 2868 | call Pack_cc_dot(0,dcpl_mb(dng_cmp(1)), | 2 ...... 2934 | call Pack_cc_dot(0,dbl_mb(rho_cmp(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2935:31: 2869 | > dcpl_mb(vl1(1)),eh) | 2 ...... 2935 | > dbl_mb(vl1(1)),eh) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2961:35: 753 | call Pack_c_SMul1(0,lmbda,dcpl_mb(vtmp(1))) | 2 ...... 2961 | call Pack_c_SMul1(0,dv,dbl_mb(vl_notpaw(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2970:72: 2970 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:2970:72: 2970 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:2972:30: 2881 | call Pack_cc_Sum2(0,dcpl_mb(dng_cmp(1)), | 2 ...... 2972 | > dbl_mb(rho_cmp(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2973:30: 2882 | > dcpl_mb(vl_notpaw(1))) | 2 ...... 2973 | > dbl_mb(vl_notpaw(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2979:45: 2884 | > dcpl_mb(dng_cmp(1)), | 2 ...... 2979 | > dbl_mb(rho_cmp(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2980:45: 2885 | > dcpl_mb(dng_cmp_smooth(1))) | 2 ...... 2980 | > dbl_mb(rho_cmp_smooth(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3149:53: 3068 | > dcpl_mb(vl1(1)), | 2 ...... 3149 | > dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3174:72: 3174 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3174:72: 3174 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3184:50: 3085 | > dcpl_mb(vl_notpaw(1)), | 2 ...... 3184 | > dbl_mb(vl_notpaw(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3185:50: 3086 | > dcpl_mb(vl1(1)), | 2 ...... 3185 | > dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3193:72: 3193 | > fion) | 1 Warning: Type mismatch in argument 'dng_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3193:72: 3193 | > fion) | 1 Warning: Type mismatch in argument 'dng_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4476:72: 4476 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4476:72: 4476 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4486:50: 4389 | > dcpl_mb(vl_notpaw(1)), | 2 ...... 4486 | > dbl_mb(vl_notpaw(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:4487:50: 4390 | > dcpl_mb(vl1(1)), | 2 ...... 4487 | > dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:4495:72: 4495 | > fion) | 1 Warning: Type mismatch in argument 'dng_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4495:72: 4495 | > fion) | 1 Warning: Type mismatch in argument 'dng_notpaw' at (1); passed REAL(8) to COMPLEX(8) Compiling semicore.F... semicore.F:549:32: 525 | call ycopy(nfft3d,dbl_mb(G_indx(u)),1,dcpl_mb(Gu),1) | 2 ...... 549 | call ycopy(n2ft3d,0.0d0,0,Aus,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). semicore.F:573:32: 573 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 ...... 773 | call Pack_c_unpack(0,dbl_mb(tmp1(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:575:32: 575 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 ...... 759 | call D3dB_cr_fft3b(1,dbl_mb(tmp1(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:255:31: 255 | call D3dB_rr_Sqr1(1,dcpl_mb(tmp(1))) | 1 ...... 781 | call D3dB_rr_Sqr1(1,dbl_mb(tmp1(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:348:30: 348 | call D3dB_r_dsum(1,dcpl_mb(tmp(1)),sum) | 1 ...... 762 | call D3dB_r_dsum(1,dbl_mb(tmp1(1)),ss) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:841:24: 593 | call D3dB_r_SMul1(1,scal2*scal2,Aus) | 2 ...... 841 | call D3dB_r_SMul1(scal2,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). semicore.F:841:30: 593 | call D3dB_r_SMul1(1,scal2*scal2,Aus) | 2 ...... 841 | call D3dB_r_SMul1(scal2,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:854:25: 772 | call Pack_c_pack(0,dbl_mb(tmp1(1))) | 2 ...... 854 | call Pack_c_pack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling semicore_force.F... Compiling psp_U.F... Compiling psp_ld.F... psp_U.F:825:72: 825 | density_total = density(1)+density(ispin) | ^ Warning: 'density' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:817:38: 817 | real*8 density_total,density(2),edftu1,pdftu1 | ^ note: 'density' declared here psp_U.F:825:72: 825 | density_total = density(1)+density(ispin) | ^ Warning: 'density' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:817:38: 817 | real*8 density_total,density(2),edftu1,pdftu1 | ^ note: 'density' declared here paw.F:1195:72: 1195 | call Pack_tt_idot(0,dbl_mb(G(1)),dbl_mb(xtmp(1)),fion(1,ii)) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] paw.F:1120:41: 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[0]' was declared here paw.F:1196:72: 1196 | call Pack_tt_idot(0,dbl_mb(G(2)),dbl_mb(xtmp(1)),fion(2,ii)) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] paw.F:1120:41: 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[1]' was declared here paw.F:1197:72: 1197 | call Pack_tt_idot(0,dbl_mb(G(3)),dbl_mb(xtmp(1)),fion(3,ii)) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] paw.F:1120:41: 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[2]' was declared here psp.F:2033:72: 2033 | > dbl_mb(xtmp(1)),fion(1,ii)) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:1921:41: 1921 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[0]' was declared here psp.F:2035:72: 2035 | > dbl_mb(xtmp(1)),fion(2,ii)) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:1921:41: 1921 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[1]' was declared here psp.F:2037:72: 2037 | > dbl_mb(xtmp(1)),fion(3,ii)) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:1921:41: 1921 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[2]' was declared here psp_U.F:394:72: 394 | > dbl_mb(asum(1)+3*(n-1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:200:18: 200 | integer G(3),npack1,nion,nu | ^ note: 'g[0]' was declared here psp_U.F:396:72: 396 | > dbl_mb(asum(1)+1+3*(n-1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:200:18: 200 | integer G(3),npack1,nion,nu | ^ note: 'g[1]' was declared here psp_U.F:398:72: 398 | > dbl_mb(asum(1)+2+3*(n-1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:200:18: 200 | integer G(3),npack1,nion,nu | ^ note: 'g[2]' was declared here psp.F:3537:72: 3537 | > dbl_mb(sum(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:3223:18: 3223 | integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm | ^ note: 'g[0]' was declared here psp.F:3537:72: 3537 | > dbl_mb(sum(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:3223:18: 3223 | integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm | ^ note: 'g[1]' was declared here psp.F:3537:72: 3537 | > dbl_mb(sum(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:3223:18: 3223 | integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm | ^ note: 'g[2]' was declared here paw.F:3420:23: 3420 | real*8 wij,taunt | ^ Warning: 'taunt' may be used uninitialized [-Wmaybe-uninitialized] make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/psp' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/psp' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a MOTION.o psp.o psp_olddebug.o psp_cmp_dE_Qlm.o paw.o psp_stress.o semicore.o semicore_force.o psp_U.o psp_ld.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/psp' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/psp' Making all in Grsm_list make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/Grsm_list' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/Grsm_list' Compiling pspw_Grsm_list.F... Compiling pspw_lmbfgs.F... pspw_lmbfgs.F:91:36: 66 | call DSCAL_OMP(ngras,(-1.0d0),g,1) | 2 ...... 91 | call DSCAL_OMP(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs.F:93:40: 30 | call pspw_Grsm_list_store(2*m-1,g) | 2 ...... 93 | call pspw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs.F:111:25: 99 | > dbl_mb(ss(1)), | 2 ...... 111 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_lmbfgs.F:116:39: 90 | call DAXPY_OMP(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 116 | call DAXPY_OMP(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs.F:116:55: 90 | call DAXPY_OMP(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 116 | call DAXPY_OMP(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_lmbfgs2.F... pspw_lmbfgs2.F:83:32: 59 | call yscal(ngras,(-1.0d0),g,1) | 2 ...... 83 | call yscal(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs2.F:85:40: 26 | call pspw_Grsm_list_store(2*m-1,g) | 2 ...... 85 | call pspw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs2.F:97:25: 91 | > dbl_mb(ss(1)), | 2 ...... 97 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_lmbfgs2.F:102:35: 82 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 102 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs2.F:102:51: 82 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 102 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_lmbfgs3.F... pspw_lmbfgs3.F:80:40: 26 | call pspw_Grsm_list_store(2*m-1,g) | 2 ...... 80 | call pspw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs3.F:93:25: 86 | > dbl_mb(ss(1)), | 2 ...... 93 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_diis.F... pspw_diis.F:78:26: 25 | call ycopy(max_list*max_list,0.0d0,0,B,1) | 2 ...... 78 | call ycopy(max_list,d,1,c,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_diis.F:79:35: 25 | call ycopy(max_list*max_list,0.0d0,0,B,1) | 2 ...... 79 | call ycopy(max_list*max_list,B,1,A,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling pspw_rmmdiis.F... pspw_rmmdiis.F:144:41: 66 | call yaxpy(ngras,lambda,residual0,1,psi,1) | 2 ...... 144 | call yaxpy(ngras, alpha(i),dbl_mb(ri(1)),1,psi_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_rmmdiis.F:149:25: 111 | call Pack_cc_dot(1,dbl_mb(ri(1)),dbl_mb(rj(1)),alpha(indx)) | 2 ...... 149 | call Pack_cc_dot(1,psi_out,psi_out,w) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_rmmdiis.F:149:33: 111 | call Pack_cc_dot(1,dbl_mb(ri(1)),dbl_mb(rj(1)),alpha(indx)) | 2 ...... 149 | call Pack_cc_dot(1,psi_out,psi_out,w) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/Grsm_list' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/Grsm_list' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/Grsm_list' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/Grsm_list' Making all in aorbs make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/aorbs' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/aorbs' Compiling aorbs.F... aorbs.F:553:22: 552 | call iread(5,version,1) | 2 553 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aorbs.F:558:22: 554 | call dread(5,unita,9) | 2 ...... 558 | call dread(5,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:559:22: 554 | call dread(5,unita,9) | 2 ...... 559 | call dread(5,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:567:56: 565 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 566 | msglen = 3 567 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aorbs.F:574:56: 565 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 574 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,iatom) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aorbs.F:581:55: 569 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 581 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rcut) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:582:55: 569 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 582 | call Parallela_Brdcst_values(com_p,MASTER,msglen,lmbda) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:687:72: 687 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/aorbs' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/aorbs' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a aorbs.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/aorbs' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/aorbs' Making all in truncating_function make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/truncating_function' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/truncating_function' Compiling truncating_function.F... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/truncating_function' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/truncating_function' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a truncating_function.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/truncating_function' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/truncating_function' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib' Making all in kbpp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/kbpp' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/kbpp' Compiling psp_formatter_input.F... psp_formatter_input.F:238:36: 192 | > mt_int,1,kbpp_number)) | 2 ...... 238 | > mt_dbl,1,rlocal)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling psp_formatter.F... psp_formatter.F:78:33: 47 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 78 | > mt_dbl,1,rlocal) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). psp_formatter.F:98:58: 47 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 98 | value = value.and.btdb_get(rtdb,rtdb_ngrid,mt_int,3,ngrid) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psp_stress_formatter.F... psp_stress_formatter.F:79:33: 41 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 79 | > mt_dbl,1,rlocal) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). psp_stress_formatter.F:108:58: 41 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 108 | value = value.and.btdb_get(rtdb,rtdb_ngrid,mt_int,3,ngrid) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling pawppv1.F... pawppv1.F:117:48: 109 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 117 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pawppv1.F:426:23: 424 | call iwrite(2,psp_type,1) | 2 425 | call iwrite(2,version,1) 426 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pawppv1.F:430:23: 427 | call dwrite(2,unita,9) | 2 ...... 430 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:431:23: 427 | call dwrite(2,unita,9) | 2 ...... 431 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:448:41: 427 | call dwrite(2,unita,9) | 2 ...... 448 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:450:23: 427 | call dwrite(2,unita,9) | 2 ...... 450 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:461:23: 427 | call dwrite(2,unita,9) | 2 ...... 461 | call dwrite(2,core_kin_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:462:23: 427 | call dwrite(2,unita,9) | 2 ...... 462 | call dwrite(2,core_ion_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:467:23: 427 | call dwrite(2,unita,9) | 2 ...... 467 | call dwrite(2,log_amesh,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:468:23: 427 | call dwrite(2,unita,9) | 2 ...... 468 | call dwrite(2,r1,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:469:23: 427 | call dwrite(2,unita,9) | 2 ...... 469 | call dwrite(2,rmax,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:470:23: 427 | call dwrite(2,unita,9) | 2 ...... 470 | call dwrite(2,sigma,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:471:23: 427 | call dwrite(2,unita,9) | 2 ...... 471 | call dwrite(2,zion,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling hghppv1.F... hghppv1.F:121:27: 116 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) | 2 ...... 121 | call BRDCST(9+MSGDBL,rloc,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hghppv1.F:359:23: 357 | call iwrite(2,psp_type,1) | 2 358 | call iwrite(2,version,1) 359 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hghppv1.F:362:23: 360 | call dwrite(2,unita,9) | 2 361 | call cwrite(2,atom,2) 362 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghppv1.F:363:23: 360 | call dwrite(2,unita,9) | 2 ...... 363 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghppv1.F:380:41: 360 | call dwrite(2,unita,9) | 2 ...... 380 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghppv1.F:382:23: 360 | call dwrite(2,unita,9) | 2 ...... 382 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling HGH_local.F... Compiling HGH_nonlocal.F... Compiling Tesseral.F... Compiling kbppv3.F... kbppv3.F:110:48: 102 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 110 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3.F:371:23: 369 | call iwrite(2,psp_type,1) | 2 370 | call iwrite(2,version,1) 371 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3.F:374:23: 372 | call dwrite(2,unita,9) | 2 373 | call cwrite(2,atom,2) 374 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3.F:375:23: 372 | call dwrite(2,unita,9) | 2 ...... 375 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3.F:392:41: 372 | call dwrite(2,unita,9) | 2 ...... 392 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3.F:393:23: 372 | call dwrite(2,unita,9) | 2 ...... 393 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbppv3-stress.F... kbppv3-stress.F:100:27: 98 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 99 | call BRDCST(9+MSGDBL,amass,mdtob(msglen),MASTER) 100 | call BRDCST(9+MSGINT,lmax0,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). kbppv3-stress.F:104:27: 98 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 ...... 104 | call BRDCST(9+MSGDBL,rc,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3-stress.F:322:23: 321 | call iwrite(2,version,1) | 2 322 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling setup_kbpp.f... Compiling kbpp_ray.F... Compiling integrate_kbppv3.f... Compiling integrate_kbppv3_new.f... Compiling integrate_kbppv3_ray.f... Compiling integrate_stress.F... Compiling integrate_stress_new.F... Compiling integrate_stress_ray.F... Compiling aorbs_formatter.F... Compiling kbpp_orb.F... kbpp_orb.F:103:48: 96 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 103 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_orb.F:275:23: 274 | call iwrite(2,version,1) | 2 275 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_orb.F:280:23: 276 | call dwrite(2,unita,9) | 2 ...... 280 | call dwrite(2,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_orb.F:281:23: 276 | call dwrite(2,unita,9) | 2 ...... 281 | call dwrite(2,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling integrate_kbpp_orb.F... Compiling integrate_pawppv1.F... Compiling integrate_paw_ray.F... Compiling kbppv3d.F... kbppv3d.F:431:23: 429 | call iwrite(2,psp_type,1) | 2 430 | call iwrite(2,version,1) 431 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3d.F:434:23: 432 | call dwrite(2,unita,9) | 2 433 | call cwrite(2,atom,2) 434 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3d.F:435:23: 432 | call dwrite(2,unita,9) | 2 ...... 435 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3d.F:452:41: 432 | call dwrite(2,unita,9) | 2 ...... 452 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3d.F:453:23: 432 | call dwrite(2,unita,9) | 2 ...... 453 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbppv3d_stress.F... kbppv3d_stress.F:102:27: 100 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 101 | call BRDCST(9+MSGDBL,amass,mdtob(msglen),MASTER) 102 | call BRDCST(9+MSGINT,lmax0,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). kbppv3d_stress.F:106:27: 100 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 ...... 106 | call BRDCST(9+MSGDBL,rc,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3d_stress.F:321:23: 320 | call iwrite(2,version,1) | 2 321 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbppv3d.f... Compiling integrate_d_stress.F... Compiling integrate_kbppv3d_new.f... Compiling integrate_d_stress_new.F... Compiling kbppv3e.F... kbppv3e.F:124:48: 115 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 124 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e.F:125:49: 118 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 125 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e.F:405:23: 403 | call iwrite(2,psp_type,1) | 2 404 | call iwrite(2,version,1) 405 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e.F:408:23: 406 | call dwrite(2,unita,9) | 2 407 | call cwrite(2,atom,2) 408 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3e.F:409:23: 406 | call dwrite(2,unita,9) | 2 ...... 409 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3e.F:425:41: 406 | call dwrite(2,unita,9) | 2 ...... 425 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3e.F:426:23: 406 | call dwrite(2,unita,9) | 2 ...... 426 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbppv3e_stress.F... kbppv3e_stress.F:112:48: 105 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 112 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e_stress.F:113:49: 107 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 113 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e_stress.F:342:23: 341 | call iwrite(2,version,1) | 2 342 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbppv3e.f... Compiling integrate_kbppv3e_new.f... Compiling integrate_kbppv3e_ray.f... Compiling integrate_e_stress.F... Compiling integrate_e_stress_new.F... Compiling integrate_e_stress_ray.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/kbpp' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/kbpp' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a psp_formatter_input.o psp_formatter.o psp_stress_formatter.o pawppv1.o hghppv1.o HGH_local.o HGH_nonlocal.o Tesseral.o kbppv3.o kbppv3-stress.o setup_kbpp.o kbpp_ray.o integrate_kbppv3.o integrate_kbppv3_new.o integrate_kbppv3_ray.o integrate_stress.o integrate_stress_new.o integrate_stress_ray.o aorbs_formatter.o kbpp_orb.o integrate_kbpp_orb.o integrate_pawppv1.o integrate_paw_ray.o kbppv3d.o kbppv3d_stress.o integrate_kbppv3d.o integrate_d_stress.o integrate_kbppv3d_new.o integrate_d_stress_new.o kbppv3e.o kbppv3e_stress.o integrate_kbppv3e.o integrate_kbppv3e_new.o integrate_kbppv3e_ray.o integrate_e_stress.o integrate_e_stress_new.o integrate_e_stress_ray.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/kbpp' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/kbpp' Making all in makepsi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/makepsi' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/makepsi' Compiling wvfnc_init_input.F... wvfnc_init_input.F:244:43: 234 | > mt_int,1,nup)) | 2 ...... 244 | > mt_int,(4*nup+1),up_filling)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) wvfnc_init_input.F:249:45: 234 | > mt_int,1,nup)) | 2 ...... 249 | > mt_int,(4*ndown+1),down_filling)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) wvfnc_init_input.F:254:35: 234 | > mt_int,1,nup)) | 2 ...... 254 | > mt_log,1,restricted)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling wvfnc_init.F... wvfnc_init.F:56:57: 50 | value = btdb_get(rtdb,'wvfnc:nup', mt_int,1,ne(1)) | 2 ...... 56 | value = btdb_get(rtdb,'wvfnc:restricted', mt_log,1,restricted) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). wvfnc_init.F:115:20: 114 | call iwrite(6,version,1) | 2 115 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_init.F:118:20: 114 | call iwrite(6,version,1) | 2 ...... 118 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_init.F:141:22: 116 | call dwrite(6,unita,9) | 2 ...... 141 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_new.F... wvfnc_new.F:169:20: 168 | call iwrite(6,version,1) | 2 169 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_new.F:172:20: 168 | call iwrite(6,version,1) | 2 ...... 172 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_new.F:199:26: 170 | call dwrite(6,unita,9) | 2 ...... 199 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_new.F:297:30: 170 | call dwrite(6,unita,9) | 2 ...... 297 | call dwrite(6,fz,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) wvfnc_new.F:299:30: 170 | call dwrite(6,unita,9) | 2 ...... 299 | call dwrite(6,fy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) wvfnc_new.F:301:30: 170 | call dwrite(6,unita,9) | 2 ...... 301 | call dwrite(6,fx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling wvfnc_expander_input.F... Compiling wvfnc_expander.F... wvfnc_expander.F:63:19: 62 | call iread(5,version,1) | 2 63 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:66:19: 62 | call iread(5,version,1) | 2 ...... 66 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:76:20: 75 | call iwrite(6,version,1) | 2 76 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:79:20: 75 | call iwrite(6,version,1) | 2 ...... 79 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:109:23: 64 | call dread(5,unita,9) | 2 ...... 109 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_expander.F:116:24: 77 | call dwrite(6,unita,9) | 2 ...... 116 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_reformat.F... wvfnc_reformat.F:67:19: 66 | call iread(5,version,1) | 2 67 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:70:19: 66 | call iread(5,version,1) | 2 ...... 70 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:82:20: 81 | call iwrite(6,version,1) | 2 82 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:85:20: 81 | call iwrite(6,version,1) | 2 ...... 85 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:122:24: 68 | call dread(5,unita,9) | 2 ...... 122 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_reformat.F:123:24: 83 | call dwrite(6,unita2,9) | 2 ...... 123 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_ionize.F... wvfnc_ionize.F:84:19: 83 | call iread(5,version,1) | 2 84 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:87:19: 83 | call iread(5,version,1) | 2 ...... 87 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:102:20: 101 | call iwrite(6,version,1) | 2 102 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:105:20: 101 | call iwrite(6,version,1) | 2 ...... 105 | call iwrite(6,nne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:128:23: 85 | call dread(5,unita,9) | 2 ...... 128 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_ionize.F:134:26: 103 | call dwrite(6,unita,9) | 2 ...... 134 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_adjust.F... wvfnc_adjust.F:163:19: 162 | call iread(5,version,1) | 2 163 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:166:19: 162 | call iread(5,version,1) | 2 ...... 166 | call iread(5,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:172:20: 171 | call iwrite(6,version,1) | 2 172 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:175:20: 171 | call iwrite(6,version,1) | 2 ...... 175 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:220:22: 162 | call iread(5,version,1) | 2 ...... 220 | call iread(3,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:223:22: 162 | call iread(5,version,1) | 2 ...... 223 | call iread(3,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:240:28: 164 | call dread(5,unita,9) | 2 ...... 240 | call dread(5,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_adjust.F:300:26: 173 | call dwrite(6,unita,9) | 2 ...... 300 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_adjust.F:314:25: 162 | call iread(5,version,1) | 2 ...... 314 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:317:25: 162 | call iread(5,version,1) | 2 ...... 317 | call iread(5,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:336:28: 162 | call iread(5,version,1) | 2 ...... 336 | call iread(3,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:339:28: 162 | call iread(5,version,1) | 2 ...... 339 | call iread(3,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:404:19: 162 | call iread(5,version,1) | 2 ...... 404 | call iread(4,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:407:19: 162 | call iread(5,version,1) | 2 ...... 407 | call iread(4,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling wvfnc_convert_restricted.F... wvfnc_convert_restricted.F:60:19: 59 | call iread(5,version,1) | 2 60 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:63:19: 59 | call iread(5,version,1) | 2 ...... 63 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:78:20: 77 | call iwrite(6,version,1) | 2 78 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:81:20: 77 | call iwrite(6,version,1) | 2 ...... 81 | call iwrite(6,nne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:102:23: 61 | call dread(5,unita,9) | 2 ...... 102 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_convert_restricted.F:105:24: 79 | call dwrite(6,unita,9) | 2 ...... 105 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_convert_restricted.F:115:19: 59 | call iread(5,version,1) | 2 ...... 115 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:118:19: 59 | call iread(5,version,1) | 2 ...... 118 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling v_wvfnc_init_input.F... v_wvfnc_init_input.F:154:35: 144 | > mt_int,1,nup)) | 2 ...... 154 | > mt_log,1,restricted)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling v_wvfnc_init.F... v_wvfnc_init.F:46:59: 43 | value = btdb_get(rtdb,'v_wvfnc:nup', mt_int,1,ne(1)) | 2 ...... 46 | value = btdb_get(rtdb,'v_wvfnc:restricted', mt_log,1,restricted) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). v_wvfnc_init.F:90:20: 89 | call iwrite(6,version,1) | 2 90 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_init.F:93:20: 89 | call iwrite(6,version,1) | 2 ...... 93 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_init.F:103:22: 91 | call dwrite(6,unita,9) | 2 ...... 103 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling v_wvfnc_new.F... v_wvfnc_new.F:60:20: 59 | call iwrite(6,version,1) | 2 60 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_new.F:63:20: 59 | call iwrite(6,version,1) | 2 ...... 63 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_new.F:73:22: 61 | call dwrite(6,unita,9) | 2 ...... 73 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_wannier_input.F... pspw_wannier_input.F:104:60: 95 | if (.not.rtdb_put(rtdb,'wannier:maxiter',mt_int,1,it)) | 2 ...... 104 | if (.not.rtdb_put(rtdb,'wannier:time_step',mt_dbl,1,tstep)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling pspw_wannier.F... Compiling silvestrelli_overlap.F... silvestrelli_overlap.F:60:72: 60 | psis = rgrid(1) + n2ft3d | ^ Warning: 'rgrid' may be used uninitialized [-Wmaybe-uninitialized] silvestrelli_overlap.F:41:22: 41 | integer rgrid(2),Tc(2),Ts(2),psic,psis,Wc(2),Ws(2) | ^ note: 'rgrid' declared here silvestrelli_overlap.F:187:72: 187 | psis = rgrid(1) + n2ft3d | ^ Warning: 'rgrid' may be used uninitialized [-Wmaybe-uninitialized] silvestrelli_overlap.F:168:22: 168 | integer rgrid(2),Tc(2),Ts(2),psic,psis,Wc(2),Ws(2) | ^ note: 'rgrid' declared here Compiling silvestrelli_minimize.F... Compiling pspw_wannier_old.F... Compiling silvestrelli_overlap_old.F... silvestrelli_overlap_old.F:53:72: 53 | psic = rgrid(1) | ^ Warning: 'rgrid' may be used uninitialized [-Wmaybe-uninitialized] silvestrelli_overlap_old.F:38:22: 38 | integer rgrid(2),Tc(2),Ts(2),psic,psis | ^ note: 'rgrid' declared here Compiling silvestrelli_minimize_old.F... Compiling pspw_wannier2.F... pspw_wannier2.F:236:28: 221 | call Pack_c_Copy(1,dcpl_mb(psi(1) +(n-1)*npack1), | 2 ...... 236 | call Pack_c_Copy(1,dbl_mb(psi_r(1)+(n-1)*n2ft3d), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_wannier2.F:237:28: 222 | > dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 237 | > dcpl_mb(psi(1) +(n-1)*npack1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_translate.F... Compiling expand_cell.F... expand_cell.F:51:44: 38 | value = btdb_get(rtdb,'nwpw:cell_expand',mt_int,3,cell_expand) | 2 ...... 51 | if (btdb_get(rtdb,rtdb_unita,mt_dbl,9,amatrix)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling wvfnc_expand_cell.F... wvfnc_expand_cell.F:61:19: 60 | call iread(5,version,1) | 2 61 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:64:19: 60 | call iread(5,version,1) | 2 ...... 64 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:91:20: 90 | call iwrite(6,version,1) | 2 91 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:94:20: 90 | call iwrite(6,version,1) | 2 ...... 94 | call iwrite(6,dne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:121:23: 62 | call dread(5,unita,9) | 2 ...... 121 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_expand_cell.F:132:24: 92 | call dwrite(6,unita,9) | 2 ...... 132 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling band_reformat_c_wvfnc.F... band_reformat_c_wvfnc.F:49:19: 48 | call iread(5,version,1) | 2 49 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:52:19: 48 | call iread(5,version,1) | 2 ...... 52 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:67:20: 66 | call iwrite(6,version,1) | 2 67 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:70:20: 66 | call iwrite(6,version,1) | 2 ...... 70 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:116:23: 50 | call dread(5,unita,9) | 2 ...... 116 | call dread(5,dcpl_mb(cfull_in(1)),2*nfft3d_in) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_reformat_c_wvfnc.F:120:23: 68 | call dwrite(6,unita,9) | 2 ...... 120 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_reformat_c_wvfnc.F:197:19: 48 | call iread(5,version,1) | 2 ...... 197 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:200:19: 48 | call iread(5,version,1) | 2 ...... 200 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:215:20: 66 | call iwrite(6,version,1) | 2 ...... 215 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:218:20: 66 | call iwrite(6,version,1) | 2 ...... 218 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:346:19: 48 | call iread(5,version,1) | 2 ...... 346 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:349:19: 48 | call iread(5,version,1) | 2 ...... 349 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:364:20: 66 | call iwrite(6,version,1) | 2 ...... 364 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:367:20: 66 | call iwrite(6,version,1) | 2 ...... 367 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling makenodefunctions.F... makenodefunctions.F:113:72: 113 | call psi_derivative_f(itype,gx,gy,gz,psir) | 1 Warning: Type mismatch in argument 'f' at (1); passed REAL(8) to COMPLEX(8) makenodefunctions.F:133:28: 112 | call Pack_c_Copy(1,psiin(shift1),psir) | 2 ...... 133 | call Pack_c_copy(1,psir,psiout(shift1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). makenodefunctions.F:133:33: 112 | call Pack_c_Copy(1,psiin(shift1),psir) | 2 ...... 133 | call Pack_c_copy(1,psir,psiout(shift1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/makepsi' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/makepsi' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a wvfnc_init_input.o wvfnc_init.o wvfnc_new.o wvfnc_expander_input.o wvfnc_expander.o wvfnc_reformat.o wvfnc_ionize.o wvfnc_adjust.o wvfnc_convert_restricted.o v_wvfnc_init_input.o v_wvfnc_init.o v_wvfnc_new.o pspw_wannier_input.o pspw_wannier.o silvestrelli_overlap.o silvestrelli_minimize.o pspw_wannier_old.o silvestrelli_overlap_old.o silvestrelli_minimize_old.o pspw_wannier2.o pspw_translate.o expand_cell.o wvfnc_expand_cell.o band_reformat_c_wvfnc.o makenodefunctions.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/makepsi' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/makepsi' Making all in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cpsd' Compiling cpsd_input.F... cpsd_input.F:136:54: 116 | > geometry_optimize) | 2 ...... 136 | value = rtdb_put(rtdb,'cpsd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cpmd_input.F... cpmd_input.F:172:54: 155 | > geometry_optimize) | 2 ...... 172 | value = rtdb_put(rtdb,'cpmd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cpsdv5.F... cpsdv5.F:790:2: 790 | #warning backspace | 1~~~~~~ Warning: #warning backspace [-Wcpp] Compiling cpmdv5.F... cpsdv5.F:995:19: 230 | call ycopy(60,0.0d0,0,E,1) | 2 ...... 995 | > dcpl_mb(psi1(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsdv5.F:996:19: 230 | call ycopy(60,0.0d0,0,E,1) | 2 ...... 996 | > dcpl_mb(psi2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpmdv5.F:354:50: 230 | call ycopy(60,0.0d0,0,E,1) | 2 ...... 354 | call ycopy(2*npack1*(neq(1)+neq(2)),0.0d0,0,dcpl_mb(psi1(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpmdv5.F:412:42: 230 | call ycopy(60,0.0d0,0,E,1) | 2 ...... 412 | call ycopy(2*(neq(1)+neq(2))*npack1,dcpl_mb(psi1(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling mmsdv1.F... Compiling inner_loop_md.F... inner_loop_md.F:465:27: 444 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 465 | > dcpl_mb(tmp1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_md.F:531:30: 461 | call D3dB_r_Zero(1,dcpl_mb(tmp1(1))) | 2 ...... 531 | call D3dB_r_Zero(1,dbl_mb(v_field(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling mm_loop.F... Compiling psi_lmbda.f... Compiling psi_lmbda_sic.f... Compiling psi_lmbda_paw.f... Compiling psi_lmbda2.f... Compiling psi_lmbda3.f... psi_lmbda3.f:179:20: 126 | > tmp(s21),n, | 2 ...... 179 | > psi1(1,n1(ms)),2*npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi_lmbda3.f:182:20: 129 | > tmp(sa1),n) | 2 ...... 182 | > psi2(1,n1(ms)),2*npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling psi_lmbda_omp.F... Compiling fei_output.F... Compiling dipole_motion.F... Compiling pspw_et.F... pspw_et.F:1594:41: 1500 | call ycopy(n2ft3d,0.0d0,0,rho,1) | 2 ...... 1594 | call ycopy(2*nemaxq*npack1,0.0d0,0,dcpl_mb(Hpsi2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling runsocket.F... runsocket.F:100:42: 72 | call nwpw_talker_read(sock,msg,12) | 2 ...... 100 | call nwpw_talker_read(sock,unita,9*8) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). runsocket.F:148:43: 94 | call nwpw_talker_write(sock,statebuffer,12) | 2 ...... 148 | call nwpw_talker_write(sock,energy,8) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). Compiling inner_loop.F... inner_loop.F:477:27: 451 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 477 | > dcpl_mb(tmp1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop.F:538:30: 473 | call D3dB_r_Zero(1,dcpl_mb(tmp1(1))) | 2 ...... 538 | call D3dB_r_Zero(1,dbl_mb(v_field(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cpsd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a cpsd_input.o cpmd_input.o cpsdv5.o cpmdv5.o mmsdv1.o inner_loop_md.o mm_loop.o psi_lmbda.o psi_lmbda_sic.o psi_lmbda_paw.o psi_lmbda2.o psi_lmbda3.o psi_lmbda_omp.o fei_output.o dipole_motion.o pspw_et.o runsocket.o psi_lmbda_omp.o inner_loop.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cpsd' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cpsd' Making all in cgsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cgsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cgsd' Compiling cgsd_input.F... cgsd_input.F:445:54: 437 | > frac_coord) | 2 ...... 445 | > rtdb_put(rtdb,'cgsd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling pspw_noit_energy.F... Compiling pspw_energy.F... pspw_energy.F:65:51: 49 | > runme)) | 2 ...... 65 | if (rtdb_get(rtdb,'cgsd:wcut',mt_dbl,1,wcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). pspw_energy.F:114:21: 82 | value = rtdb_put(rtdb,'cgsd:wcut',mt_dbl,1,wcut) | 2 ...... 114 | > .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling pspw_gradient.F... Compiling pspw_bq_gradient.F... Compiling pspw_stress.F... Compiling cgsdv5.F... cgsdv5.F:709:25: 706 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 709 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgsdv5.F:712:25: 706 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 712 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgsdv5.F:724:25: 706 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 724 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgsdv5.F:727:25: 706 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 727 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cgmontecarlov1.F... cgmontecarlov1.F:769:27: 197 | call ycopy(30,0.0d0,0,E,1) | 2 ...... 769 | call ycopy(9,mc_unita1,1,mc_unita2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgmontecarlov1.F:1056:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1056 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmontecarlov1.F:1059:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1059 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmontecarlov1.F:1069:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1069 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgmontecarlov1.F:1072:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1072 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cgoptimize1.F... cgoptimize1.F:716:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 716 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgoptimize1.F:719:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 719 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgoptimize1.F:729:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 729 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgoptimize1.F:732:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 732 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cgmdv5.F... cgsdv5.F:648:13: 648 | if (EVQ.gt.0.0d0) write(LuOut,1601) EV+EVQ | ^ Warning: 'evq' may be used uninitialized [-Wmaybe-uninitialized] cgsdv5.F:61:20: 61 | real*8 EV,EVQ,pi,rs | ^ note: 'evq' was declared here cgmdv5.F:1079:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1079 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmdv5.F:1082:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1082 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmdv5.F:1092:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1092 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgmdv5.F:1095:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1095 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling mmmdv1.F... mmmdv1.F:719:25: 716 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 719 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) mmmdv1.F:729:25: 716 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 729 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) mmmdv1.F:732:25: 716 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 732 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cgsd_noit_energy.F... cgoptimize1.F:429:13: 429 | if (opt_algorithm.eq.0) then | ^ Warning: 'opt_algorithm' may be used uninitialized [-Wmaybe-uninitialized] cgoptimize1.F:75:27: 75 | integer opt_algorithm | ^ note: 'opt_algorithm' was declared here cgmontecarlov1.F:832:72: 832 | > dbl_mb(ion_rion_ptr())) | ^ Warning: 'frac1[0]' may be used uninitialized [-Wmaybe-uninitialized] cgmontecarlov1.F:81:35: 81 | integer vcount,geom1,frac1(2),nion1 | ^ note: 'frac1[0]' was declared here Compiling cgsd_energy.F... cgsd_energy.F:281:36: 279 | call ecce_print1('iteration counter', mt_int,icount*it_in,1) | 2 280 | call ecce_print1('iterative total energy difference', 281 | > mt_dbl, deltae, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cgsd_energy.F:1209:19: 101 | call ycopy(40,0.0d0,0,E,1) | 2 ...... 1209 | call ycopy(9,tstress,1,xcstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgsd_energy.F:1547:19: 101 | call ycopy(40,0.0d0,0,E,1) | 2 ...... 1547 | call ycopy(9,tstress,1,xcstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling cgsd_excited.F... Compiling cgsd_oep_eigenvalues.F... Compiling cgminimize.F... Compiling cgminimize2.F... Compiling cgminimizeABC.F... Compiling bfgsminimize.F... Compiling bfgsminimize2.F... Compiling bfgsminimize3.F... Compiling bfgsminimizeABC.F... Compiling bybminimize0.F... Compiling bybminimize.F... bybminimize.F:270:72: 270 | deltae = Enew-Eold | ^ Warning: 'enew' may be used uninitialized [-Wmaybe-uninitialized] bybminimize.F:45:21: 45 | real*8 Enew,Eold,alpha | ^ note: 'enew' was declared here Compiling bybminimize2.F... Compiling sdminimize.F... Compiling nominimize.F... Compiling md_energy.F... Compiling kp_structure.F... kp_structure.F:122:72: 122 | dist = dist + (kv(3)-kold(3))**2 | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] kp_structure.F:28:33: 28 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[2]' was declared here kp_structure.F:121:72: 121 | dist = dist + (kv(2)-kold(2))**2 | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] kp_structure.F:28:33: 28 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[1]' was declared here kp_structure.F:120:72: 120 | dist = (kv(1)-kold(1))**2 | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] kp_structure.F:28:33: 28 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here Compiling pspw_director.F... pspw_director.F:215:34: 215 | common /pspw_director_lines/ lines,nlines | 1 Warning: Padding of 2 bytes required before 'nlines' in COMMON 'pspw_director_lines' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] pspw_director.F:179:34: 179 | common /pspw_director_lines/ lines,nlines | 1 Warning: Padding of 2 bytes required before 'nlines' in COMMON 'pspw_director_lines' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] pspw_director.F:154:34: 154 | common /pspw_director_lines/ lines,nlines | 1 Warning: Padding of 2 bytes required before 'nlines' in COMMON 'pspw_director_lines' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] pspw_director.F:135:34: 135 | common /pspw_director_lines/ lines,nlines | 1 Warning: Padding of 2 bytes required before 'nlines' in COMMON 'pspw_director_lines' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cgsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cgsd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a cgsd_input.o pspw_noit_energy.o pspw_energy.o pspw_gradient.o pspw_bq_gradient.o pspw_stress.o cgsdv5.o cgmontecarlov1.o cgoptimize1.o cgmdv5.o mmmdv1.o cgsd_noit_energy.o cgsd_energy.o cgsd_excited.o cgsd_oep_eigenvalues.o cgminimize.o cgminimize2.o cgminimizeABC.o bfgsminimize.o bfgsminimize2.o bfgsminimize3.o bfgsminimizeABC.o bybminimize0.o bybminimize.o bybminimize2.o sdminimize.o nominimize.o md_energy.o kp_structure.o pspw_director.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cgsd' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cgsd' Making all in analysis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/analysis' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/analysis' Making all in APC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/analysis/APC' Compiling analysis_input.F... make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/analysis/APC' Compiling analysis.F... analysis.F:167:40: 144 | if (.not. btdb_get(rtdb,id,mt_int,1,int_mb(lorb(1)+k-1))) then | 2 ...... 167 | > dbl_mb(b0(1)+(k-1)*6))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling orb_pop.F... Compiling orb_pop_kawai.F... Compiling orb_pop_aorb.F... Compiling orb.F... orb.F:75:45: 69 | if (.not. btdb_get(rtdb,id,mt_int,1,int_mb(lorb(1)+k-1))) | 2 ...... 75 | > dbl_mb(b0(1)+(k-1)*6))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling pspw_Lubin_water_analysis.F... Compiling pspw_atom_analysis.F... Compiling pspw_APC.F... pspw_APC.F:1313:47: 1313 | > + dbl_mb(nwpw_born_u_ptr(1)+ii-1) | 1 Warning: More actual than formal arguments in procedure call at (1) pspw_APC.F:1404:55: 1309 | call Parallel_shared_vector_zero(.true.,ngs,dbl_mb(u(1))) | 2 ...... 1404 | call Parallel_shared_vector_zero(.true.,2*npack0,dcpl_mb(vtmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_APC.F:1220:47: 1220 | > + dbl_mb(nwpw_born_u_ptr(1)+ii-1) | 1 Warning: More actual than formal arguments in procedure call at (1) pspw_APC.F:62:52: 54 | if (.not.btdb_get(rtdb,'nwpw:APC',mt_log,1,doapc)) | 2 ...... 62 | value = btdb_get(rtdb,'nwpw_APC:nga',mt_int,1,nga) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling pspw_atom_Efield.F... Compiling util_diag_jacobi.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/analysis' pspw_APC.F:358:72: 358 | > dbl_mb(b(1)+ngs+(i-1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] pspw_APC.F:267:18: 267 | integer G(3) | ^ note: 'g[0]' was declared here pspw_APC.F:361:72: 361 | > dbl_mb(b(1)+2*ngs+(i-1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] pspw_APC.F:267:18: 267 | integer G(3) | ^ note: 'g[1]' was declared here pspw_APC.F:364:72: 364 | > dbl_mb(b(1)+3*ngs+(i-1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] pspw_APC.F:267:18: 267 | integer G(3) | ^ note: 'g[2]' was declared here Compiling util_sorteps.F... Compiling pspw_atom_Efield_grad.F... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/analysis/APC' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/analysis/APC' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a pspw_APC.o pspw_atom_Efield.o util_diag_jacobi.o util_sorteps.o pspw_atom_Efield_grad.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/analysis/APC' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/analysis/APC' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/analysis' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a analysis_input.o analysis.o orb_pop.o orb_pop_kawai.o orb_pop_aorb.o orb.o pspw_Lubin_water_analysis.o pspw_atom_analysis.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/analysis' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/analysis' Making all in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cell_optimize' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cell_optimize' Compiling cell_optimize_input.F... cell_optimize_input.F:250:32: 244 | > mt_int,1,optimize_strategy) | 2 ...... 250 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cell_optimize_input.F:253:32: 244 | > mt_int,1,optimize_strategy) | 2 ...... 253 | > mt_int,9,optimize_lattice_vectors) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cell_optimize_input.F:256:32: 244 | > mt_int,1,optimize_strategy) | 2 ...... 256 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling cell_optimize.F... cell_optimize.F:44:32: 36 | > mt_int,1,optimize_strategy) | 2 ...... 44 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cell_optimize.F:48:32: 36 | > mt_int,1,optimize_strategy) | 2 ...... 48 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling update_unitcell.F... update_unitcell.F:31:72: 31 | call load_cellgeometry(geom,dbl_mb(r1(1)),unita) | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] update_unitcell.F:15:19: 15 | integer r1(2),nion,nionplus3 | ^ note: 'r1' declared here Compiling pspw_stress_numerical.F... Compiling pspw_force_numerical.F... Compiling force_fd.F... Compiling stress_fd.F... stress_fd.F:131:53: 120 | > mt_log,1,lstress_numerical)) | 2 ...... 131 | > btdb_get(rtdb,'pspw:stress_alpha',mt_dbl,1,alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). stress_fd.F:192:19: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 192 | call ycopy(9,unita,1,unita2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) stress_fd.F:324:19: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 324 | call ycopy(9,unita,1,unita3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) stress_fd.F:497:19: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 497 | call ycopy(9,all_stress,1,stress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) stress_fd.F:511:25: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 511 | call ycopy(6,lattice,1,lattice2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) stress_fd.F:620:25: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 620 | call ycopy(6,lattice,1,lattice3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) stress_fd.F:798:22: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 798 | call ycopy(6,all_lstress,1,lstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) force_fd.F:47:72: 47 | > BA_alloc_get(mt_dbl,(3*nion),'r1',r1(2),r1(1)) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] force_fd.F:21:29: 21 | integer r1(2),geom,nion | ^ note: 'nion' declared here force_fd.F:47:72: 47 | > BA_alloc_get(mt_dbl,(3*nion),'r1',r1(2),r1(1)) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] force_fd.F:21:29: 21 | integer r1(2),geom,nion | ^ note: 'nion' declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cell_optimize' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cell_optimize' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a cell_optimize_input.o cell_optimize.o update_unitcell.o pspw_stress_numerical.o pspw_force_numerical.o force_fd.o stress_fd.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cell_optimize' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cell_optimize' Making all in qmmm make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm' Making all in pspw_LJ make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_LJ' Compiling pspw_qmmm_input.F... make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_LJ' pspw_qmmm_input.F:170:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 170 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,npair) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). pspw_qmmm_input.F:501:57: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 501 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,1,alpha) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:534:49: 168 | if (.not.rtdb_get(rtdb,rtdb_name,mt_int,1,npair)) npair = 0 | 2 ...... 534 | > mt_dbl,(2*basis_length-2),dbl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_qmmm_input.F:560:57: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 560 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,1,alpha) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:730:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 730 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rin) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:736:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 736 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rout) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:1438:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 1438 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rin) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:1444:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 1444 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rout) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:2115:51: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 2115 | if (.not.rtdb_put(rtdb,rtdb_name,mt_dbl,1,alpha)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling pspw_qmmm.F... Compiling pspw_2qmmm.F... pspw_qmmm.F:106:46: 70 | if (.not.btdb_get(rtdb,rtdb_name,mt_log,1,value)) value = .false. | 2 ...... 106 | if (btdb_get(rtdb,rtdb_name,mt_dbl,1,qmmm_lmbda)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). pspw_2qmmm.F:78:46: 60 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,nfrag)) nfrag = 0 | 2 ...... 78 | if (btdb_get(rtdb,rtdb_name,mt_dbl,1,qmmm_lmbda)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling pspw_springs.F... Compiling pspw_LJ.F... pspw_LJ.F:99:59: 68 | value = btdb_get(rtdb,rtdbname(1:j),mt_dbl,2,sigma_epsilon) | 2 ...... 99 | if (.not.btdb_get(rtdb,'pspw_LJ_include_qm',mt_log,1,include_qm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_LJ' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_LJ' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a pspw_LJ.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_LJ' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_LJ' Making all in pspw_Q make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_Q' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_Q' Compiling pspw_Q.F... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_Q' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_Q' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a pspw_Q.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_Q' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_Q' Making all in pspw_Pair make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_Pair' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_Pair' Compiling pspw_Pair.F... pspw_Pair.F:72:33: 63 | if (.not.btdb_get(rtdb,rtdbname(1:k),mt_dbl,2,sigma_epsilon)) | 2 ...... 72 | > mt_log,1,include_lj_qm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_Pair' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_Pair' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a pspw_Pair.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_Pair' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_Pair' Making all in mmq make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/mmq' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/mmq' Compiling mmq.F... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/mmq' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/mmq' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a mmq.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/mmq' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/mmq' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a pspw_qmmm_input.o pspw_qmmm.o pspw_2qmmm.o pspw_springs.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm' Making all in charge make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/charge' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/charge' Compiling pspw_charge.F... pspw_charge.F:110:51: 103 | > 'nwpw:charge_type',mt_int,1,charge_type)) then | 2 ...... 110 | > 'nwpw:charge_dielectric_d',mt_dbl,1,s_d)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_charge.F:677:44: 675 | call Parallel_shared_vector_zero(.false.,n2ft3d,Vqm) | 2 676 | call Parallel_shared_vector_zero(.false.,2*npack0, 677 | > dcpl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_charge.F:686:43: 684 | call Pack_cc_daxpy(0,q1,dcpl_mb(exi(1)),Vqm) | 2 685 | call Pack_cc_daxpy(0,dabs(q1),dcpl_mb(exi(1)), 686 | > dcpl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_charge.F:692:53: 691 | call Pack_tc_Mul2(0,dbl_mb(vc_charge(1)),Vqm) | 2 692 | call Pack_tc_Mul2(0,dbl_mb(vc2_charge(1)),dcpl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_efield.F... pspw_efield.F:31:59: 27 | if (.not.btdb_get(rtdb,'nwpw:efield',mt_log,1,efield_on)) | 2 ...... 31 | if(.not.btdb_get(rtdb,'nwpw:efield_type',mt_int,1,efield_type)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/charge' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/charge' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a pspw_charge.o pspw_efield.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/charge' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/charge' Making all in dplot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/dplot' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/dplot' Compiling pspw_dplot_input.F... pspw_dplot_input.F:291:42: 82 | value = rtdb_put(rtdb,'pspw_dplot:count',mt_int,1,count) | 2 ...... 291 | > mt_dbl,3,x) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_dplot_input.F:602:57: 82 | value = rtdb_put(rtdb,'pspw_dplot:count',mt_int,1,count) | 2 ...... 602 | if (.not.rtdb_put(rtdb,'pspw_dplot:ncell',mt_int,3,ncell)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling pspw_dplot.F... pspw_dplot.F:698:72: 698 | call pspw_add_core_dng(1.0d0,dbl_mb(rho(1))) | 1 Warning: Type mismatch in argument 'dng' at (1); passed REAL(8) to COMPLEX(8) pspw_dplot.F:753:62: 513 | if (btdb_get(rtdb,'pspw_dplot:3d_grid:nx',mt_int,1,i)) | 2 ...... 753 | if (.not.btdb_get(rtdb,name2(1:name2_len),mt_dbl,3,x)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_dplot.F:778:50: 618 | 710 call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 778 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dcpl_mb(rhog(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_dplot.F:779:32: 673 | call D3dB_rc_fft3f(1,dbl_mb(rho(1))) | 2 ...... 779 | call D3dB_rc_fft3f(1,dcpl_mb(rhog(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_dplot.F:987:57: 513 | if (btdb_get(rtdb,'pspw_dplot:3d_grid:nx',mt_int,1,i)) | 2 ...... 987 | if (.not.btdb_get(rtdb,'pspw_dplot:ncell',mt_int,3,ncell)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_dplot.F:2078:25: 674 | call Pack_c_pack(1,dbl_mb(rho(1))) | 2 ...... 2078 | call Pack_c_pack(0,dcpl_mb(tmp2(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_dplot.F:423:33: 423 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) | 1 ...... 2076 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp2(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_dplot.F:93:57: 93 | if (.not.btdb_get(rtdb,'pspw_dplot:ncell',mt_int,3,ncell)) then | 1 ...... 513 | if (btdb_get(rtdb,'pspw_dplot:3d_grid:nx',mt_int,1,i)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_dplot.F:261:72: 261 | > fractional,dbl_mb(occ2(1))) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed COMPLEX(8) to REAL(8) pspw_dplot.F:273:72: 273 | > .false.,tag) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed COMPLEX(8) to REAL(8) Compiling pspw_dplot_iteration.F... Compiling ELF.F... ELF.F:83:30: 72 | call D3dB_r_Zero_Ends(1,dbl_mb(dns(1))) | 2 ...... 83 | call D3dB_r_Zero_Ends(1,dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ELF.F:105:35: 105 | call ycopy(n2ft3d,0.0d0,0,dcpl_mb(dng(1)),1) | 1 ...... 187 | call ycopy(nfft3d,dbl_mb(G_indx(1)),1,dbl_mb(Gx(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling Ursenbach_smoother.F... ELF.F:446:72: 446 | tsum = tsum * dv | ^ Warning: 'tsum' is used uninitialized [-Wuninitialized] ELF.F:385:27: 385 | real*8 summ(100),tsum,msum,x,y,z,dv,dx,dy,dz,rr,rrmin | ^ note: 'tsum' declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/dplot' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/dplot' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a pspw_dplot_input.o pspw_dplot.o pspw_dplot_iteration.o ELF.o Ursenbach_smoother.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/dplot' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/dplot' Making all in lcao make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lcao' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lcao' Compiling lcao_wvfnc.F... Compiling wvfnc_new_lcao_density.F... wvfnc_new_lcao_density.F:371:29: 358 | > call D3dB_rr_Sum2(1,dbl_mb(v_field(1)),dbl_mb(vall(1))) | 2 ...... 371 | call D3dB_rr_Sum2(1,dcpl_mb(vc(1)),dbl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling lcao_write_matrix.F... Compiling lcao_generate_smatrix.F... Compiling lcao_generate_kematrix.F... Compiling lcao_generate_vlmatrix.F... lcao_generate_vlmatrix.F:98:30: 75 | call Pack_c_unpack(0,dcpl_mb(vl(1))) | 2 ...... 98 | call Pack_c_unpack(1,dbl_mb(vpsi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vlmatrix.F:99:33: 76 | call D3dB_cr_pfft3b(1,0,dcpl_mb(vl(1))) | 2 ...... 99 | call D3dB_cr_pfft3b(1,1,dbl_mb(vpsi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vlmatrix.F:112:28: 97 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 112 | call Pack_c_Copy(1,dbl_mb(vpsi),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vlmatrix.F:112:41: 97 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 112 | call Pack_c_Copy(1,dbl_mb(vpsi),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). lcao_generate_vlmatrix.F:40:72: 40 | vpsi = vlr_l(1) | ^ Warning: 'vlr_l' may be used uninitialized [-Wmaybe-uninitialized] lcao_generate_vlmatrix.F:20:28: 20 | integer vl(2),vlr_l(2),rgrid(2),vpsi | ^ note: 'vlr_l' declared here Compiling lcao_generate_vnlmatrix.F... Compiling lcao_generate_vhxcmatrix.F... lcao_generate_vhxcmatrix.F:172:31: 152 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 172 | call Pack_c_Copy(1,dbl_mb(vall),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vhxcmatrix.F:172:44: 152 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 172 | call Pack_c_Copy(1,dbl_mb(vall),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling lcao_init_dn.F... Compiling lcao_new_dn.F... Compiling lcao_make_psi.F... Compiling lcao_write_psi.F... lcao_write_psi.F:73:23: 72 | call iwrite(6,version,1) | 2 73 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) lcao_write_psi.F:76:23: 72 | call iwrite(6,version,1) | 2 ...... 76 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) lcao_write_psi.F:185:23: 72 | call iwrite(6,version,1) | 2 ...... 185 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) lcao_write_psi.F:188:23: 72 | call iwrite(6,version,1) | 2 ...... 188 | call iwrite(6,ne_excited,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling lcaov1.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lcao' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lcao' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a lcao_wvfnc.o wvfnc_new_lcao_density.o lcao_write_matrix.o lcao_generate_smatrix.o lcao_generate_kematrix.o lcao_generate_vlmatrix.o lcao_generate_vnlmatrix.o lcao_generate_vhxcmatrix.o lcao_init_dn.o lcao_new_dn.o lcao_make_psi.o lcao_write_psi.o lcaov1.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lcao' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lcao' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a task_pspw.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpspw.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw' Making all in paw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw' Compiling task_paw.F... Making all in paw_geometry make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_geometry' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_geometry' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_geometry' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_geometry' Making all in paw_ma make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ma' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ma' Compiling paw_ma.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ma' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ma' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a paw_ma.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ma' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ma' Making all in paw_utils make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_utils' Compiling integrate.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_utils' Compiling paw_utils.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling io_utils.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling chkerr.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling double_factorial.f... double_factorial.f:15:72: 15 | end | ^ Warning: '__result_double_factorial' may be used uninitialized [-Wmaybe-uninitialized] double_factorial.f:1:48: 1 | double precision function double_factorial(n) | ^ note: '__result_double_factorial' was declared here Compiling bessel_transform.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_gauss_weights.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_spher_grid.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_utils' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_utils' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a integrate.o paw_utils.o io_utils.o chkerr.o double_factorial.o bessel_transform.o paw_gauss_weights.o paw_spher_grid.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_utils' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_utils' Making all in paw_basis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_basis' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_basis' Compiling paw_basis.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] paw_basis.F:365:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 365 | call BRDCST(9+MSGINT,nbasis,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). paw_basis.F:375:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 375 | call BRDCST(9+MSGDBL,eig, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:379:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 379 | call BRDCST(9+MSGDBL,core_density, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:380:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 380 | call BRDCST(9+MSGDBL,ps_core_density,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:381:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 381 | call BRDCST(9+MSGDBL,v_ps, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:385:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 385 | call BRDCST(9+MSGDBL,phi_ae, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:386:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 386 | call BRDCST(9+MSGDBL,phi_ps, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:387:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 387 | call BRDCST(9+MSGDBL,phi_ae_prime,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:388:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 388 | call BRDCST(9+MSGDBL,phi_ps_prime,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:389:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 389 | call BRDCST(9+MSGDBL,prj_ps, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:390:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 390 | call BRDCST(9+MSGDBL,prj_ps0, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling paw_small_basis.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_basis_data.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_basis' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_basis' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a paw_basis.o paw_small_basis.o paw_basis_data.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_basis' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_basis' Making all in paw_proj make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_proj' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_proj' Compiling paw_proj.F... paw_proj.F:522:22: 520 | call iread(5,ngrid,3) | 2 521 | call dread(5,unita,9) 522 | call iread(5,nbasis,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:529:27: 527 | call BRDCST(9+MSGINT,ngrid,mitob(msglen),MASTER) | 2 528 | msglen = 9 529 | call BRDCST(9+MSGDBL,unita,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). paw_proj.F:531:27: 527 | call BRDCST(9+MSGINT,ngrid,mitob(msglen),MASTER) | 2 ...... 531 | call BRDCST(9+MSGINT,nbasis,mitob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:605:22: 520 | call iread(5,ngrid,3) | 2 ...... 605 | call iread(5,nbasis,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:615:27: 527 | call BRDCST(9+MSGINT,ngrid,mitob(msglen),MASTER) | 2 ...... 615 | call BRDCST(9+MSGINT,nbasis,mitob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:709:23: 707 | call iwrite(6,ngrid,3) | 2 708 | call dwrite(6,unita,9) 709 | call iwrite(6,nbasis,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:808:27: 707 | call iwrite(6,ngrid,3) | 2 ...... 808 | call iwrite(6,l,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:809:27: 707 | call iwrite(6,ngrid,3) | 2 ...... 809 | call iwrite(6,m,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'IMAGPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'IMAGPART_EXPR ' was declared here paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'REALPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'REALPART_EXPR ' was declared here paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'REALPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'REALPART_EXPR ' was declared here paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'IMAGPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'IMAGPART_EXPR ' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_proj' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_proj' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a paw_proj.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_proj' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_proj' Making all in paw_matrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_matrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_matrix' Compiling paw_comp_charge_matrix.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_matrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_matrix' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a paw_comp_charge_matrix.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_matrix' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_matrix' Making all in paw_ovlp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ovlp' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ovlp' Compiling paw_ovlp.F... Compiling paw_overlap_matrix.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ovlp' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ovlp' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a paw_ovlp.o paw_overlap_matrix.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ovlp' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ovlp' Making all in paw_comp_charge make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_comp_charge' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_comp_charge' Compiling paw_comp_charge.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_comp_charge' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_comp_charge' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a paw_comp_charge.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_comp_charge' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_comp_charge' Making all in paw_special_functions make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_special_functions' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_special_functions' Compiling paw_spher_func.F... Compiling paw_double_factorial.F... Compiling paw_gamma_function.F... Compiling paw_hypergeom1F1.F... paw_hypergeom1F1.F:12:48: 12 | DOUBLE PRECISION FUNCTION PAW_HYPERGEOM1F1 (N, L, Z) | ^ Warning: '__result_paw_hypergeom1f1' may be used uninitialized [-Wmaybe-uninitialized] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_special_functions' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_special_functions' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a paw_spher_func.o paw_double_factorial.o paw_gamma_function.o paw_hypergeom1F1.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_special_functions' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_special_functions' Making all in paw_gaunt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_gaunt' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_gaunt' Compiling paw_gaunt.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_gaunt' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_gaunt' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a paw_gaunt.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_gaunt' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_gaunt' Making all in paw_kinetic make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_kinetic' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_kinetic' Compiling paw_energy_kin_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_matrix_kin.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_kinetic' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_kinetic' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a paw_energy_kin_atom.o paw_matrix_kin.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_kinetic' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_kinetic' Making all in paw_vloc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_vloc' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_vloc' Compiling paw_energy_vloc_atom.F... Compiling paw_matrix_vloc.F... Compiling paw_vloc.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_vloc' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_vloc' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a paw_energy_vloc_atom.o paw_matrix_vloc.o paw_vloc.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_vloc' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_vloc' Making all in paw_ion_potential make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ion_potential' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ion_potential' Compiling paw_energy_ion_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_matrix_ion.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ion_potential' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ion_potential' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a paw_energy_ion_atom.o paw_matrix_ion.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ion_potential' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ion_potential' Making all in paw_core make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_core' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_core' Compiling paw_energy_core_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_matrix_core.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_core' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_core' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a paw_energy_core_atom.o paw_matrix_core.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_core' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_core' Making all in paw_hartree make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_hartree' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_hartree' Compiling paw_matrix_hartree.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_pot_hartree.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_energy_hartree_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_hartree' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_hartree' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a paw_matrix_hartree.o paw_pot_hartree.o paw_energy_hartree_atom.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_hartree' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_hartree' Making all in paw_comp_pot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_comp_pot' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_comp_pot' Compiling paw_matrix_comp_pot.F... Compiling paw_pot_comp.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_comp_pot' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_comp_pot' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a paw_matrix_comp_pot.o paw_pot_comp.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_comp_pot' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_comp_pot' Making all in paw_mult make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_mult' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_mult' Compiling paw_mult.F... paw_mult.F:1118:40: 1118 | call ycopy((lmax+1)*nkatm,0.0d0,0,coeff,1) | 1 ...... 1163 | > dcpl_mb(comp_coeff(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling paw_mult_interaction.F... Compiling paw_mult_energy.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_mult' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_mult' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a paw_mult.o paw_mult_interaction.o paw_mult_energy.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_mult' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_mult' Making all in paw_nonlocal make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_nonlocal' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_nonlocal' Compiling paw_nonlocal.F... paw_nonlocal.F:281:35: 241 | > dcpl_mb(paw_Gop_static(1)),1, | 2 ...... 281 | call ycopy(2*paw_nl_coeff(3),0.0d0,0, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_nonlocal' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_nonlocal' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a paw_nonlocal.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_nonlocal' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_nonlocal' Making all in paw_density make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_density' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_density' Compiling paw_density.F... paw_density.F:563:72: 563 | > paw_rho_ae(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:563:72: 563 | > paw_rho_ae(1,l2,ms)) | 1 Warning: Type mismatch in argument 'rho' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:568:72: 568 | > paw_rho_ps(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:568:72: 568 | > paw_rho_ps(1,l2,ms)) | 1 Warning: Type mismatch in argument 'rho' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:726:72: 726 | > paw_rho_ae_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:726:72: 726 | > paw_rho_ae_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'drho' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:733:72: 733 | > paw_rho_ps_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:733:72: 733 | > paw_rho_ps_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'drho' at (1); passed COMPLEX(8) to REAL(8) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_density' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_density' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a paw_density.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_density' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_density' Making all in paw_xc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_xc' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_xc' Compiling paw_xc.F... paw_xc.F:1315:72: 1315 | > rho_prime(1,1,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1315:72: 1315 | > rho_prime(1,1,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1328:72: 1328 | > rho_prime(1,2,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1328:72: 1328 | > rho_prime(1,2,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1335:72: 1335 | > rho_prime(1,3,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1335:72: 1335 | > rho_prime(1,3,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1275:72: 1275 | > rho(1,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1275:72: 1275 | > rho(1,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:484:41: 484 | call ycopy(2*paw_xc_pot(3),0.0d0,0,dcpl_mb(paw_xc_pot(1)),1) | 1 ...... 1307 | call ycopy(3*ic*ispin,0.0d0,0,rho_prime,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_xc.F:671:72: 671 | > dcpl_mb(paw_dvxc_ps(1))) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:671:72: 671 | > dcpl_mb(paw_dvxc_ps(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:671:72: 671 | > dcpl_mb(paw_dvxc_ps(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:686:72: 686 | > dcpl_mb(paw_vxc_ps(1))) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:686:72: 686 | > dcpl_mb(paw_vxc_ps(1))) | 1 Warning: Type mismatch in argument 'vxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:686:72: 686 | > dcpl_mb(paw_vxc_ps(1))) | 1 Warning: Type mismatch in argument 'vxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:741:72: 741 | > dcpl_mb(paw_xc_matr(1))) | 1 Warning: Type mismatch in argument 'vxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:741:72: 741 | > dcpl_mb(paw_xc_matr(1))) | 1 Warning: Type mismatch in argument 'vxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:741:72: 741 | > dcpl_mb(paw_xc_matr(1))) | 1 Warning: Type mismatch in argument 'tmpc' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:815:72: 815 | > dcpl_mb(paw_xc_dmatr(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:815:72: 815 | > dcpl_mb(paw_xc_dmatr(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:815:72: 815 | > dcpl_mb(paw_xc_dmatr(1))) | 1 Warning: Type mismatch in argument 'tmpc' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:858:44: 855 | > dcpl_mb(paw_xc_pot(1))) | 2 ...... 858 | call D3dB_Vector_Sumall(paw_xc_e(3),dbl_mb(paw_xc_e(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling paw_vosko.F... Compiling paw_dirac_x.F... Compiling paw_gga.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_xc' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_xc' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a paw_xc.o paw_vosko.o paw_dirac_x.o paw_gga.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_xc' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_xc' Making all in paw_force make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_force' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_force' Compiling paw_force.F... paw_force.F:215:30: 215 | > dcpl_mb(paw_force_cx_s(1))) | 1 ...... 906 | if (np.gt.1) call D3dB_Vector_SumAll(3*nion,dbl_mb(ft(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_force.F:260:34: 260 | call ycopy(tcount,0.0d0,0,dcpl_mb(paw_force_wx_u(1)),1) | 1 ...... 768 | call ycopy(3*nion,0.0d0,0,dbl_mb(ft(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_force' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_force' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a paw_force.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_force' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_force' Making all in paw_Grsm_list make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_Grsm_list' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_Grsm_list' Compiling paw_Grsm_list.F... Compiling paw_lmbfgs.F... paw_lmbfgs.F:80:32: 59 | call yscal(ngras,(-1.0d0),g,1) | 2 ...... 80 | call yscal(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_lmbfgs.F:82:39: 26 | call paw_Grsm_list_store(2*m-1,g) | 2 ...... 82 | call paw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_lmbfgs.F:96:25: 88 | > dbl_mb(ss(1)), | 2 ...... 96 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_lmbfgs.F:99:35: 79 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 99 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_lmbfgs.F:99:51: 79 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 99 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_Grsm_list' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_Grsm_list' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a paw_Grsm_list.o paw_lmbfgs.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_Grsm_list' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_Grsm_list' Making all in paw_psi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_psi' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_psi' Compiling paw_psi.F... paw_psi.F:167:22: 167 | call ycopy(8*nn,0.0d0,0,tmp,1) | 1 ...... 328 | call ycopy(n_max*n,A,1,fnm,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi.F:171:22: 171 | call ycopy(2*nn,0.0d0,0,lmbda,1) | 1 ...... 328 | call ycopy(n_max*n,A,1,fnm,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi.F:223:20: 223 | > psi1(1,n1(ms)),2*npack1, | 1 ...... 395 | > fnm,n_max, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_psi.F:226:20: 226 | > psi2(1,n1(ms)),2*npack1) | 1 ...... 398 | > tmp,n_max) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling paw_psi2.F... Compiling paw_psi_new.F... Compiling paw_psi_H.F... paw_psi2.F:2471:31: 722 | > rho, 1, | 2 ...... 2471 | call ycopy((ne(1)+ne(2)),0.0d0,0,dbl_mb(eig(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:2526:31: 722 | > rho, 1, | 2 ...... 2526 | call ycopy((ne(1)+ne(2)),0.0d0,0,dbl_mb(eig(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:2925:51: 2897 | call psi_write(ispin,ne,dcpl_mb(psi1(1)),-1,dum) | 2 ...... 2925 | call psi_write(ispin,ne,dcpl_mb(psi1(1)),-1,dum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:3009:32: 722 | > rho, 1, | 2 ...... 3009 | call ycopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi2_excited(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:3009:40: 723 | > dbl_mb(rho_ptr),1) | 2 ...... 3009 | call ycopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi2_excited(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_psi2.F:3010:32: 722 | > rho, 1, | 2 ...... 3010 | call ycopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi1_excited(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:3011:25: 722 | > rho, 1, | 2 ...... 3011 | call ycopy(2*nemax,0.0d0,0,dbl_mb(eig_excited(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling paw_electron.F... paw_psi2.F:189:72: 189 | > dcpl_mb(t(1))) | ^ Warning: 'lmbda_r0' may be used uninitialized [-Wmaybe-uninitialized] paw_psi2.F:115:54: 115 | real*8 e0,eold,percent_error,error0,de0,lmbda_r0,lmbda_r1 | ^ note: 'lmbda_r0' was declared here Compiling paw_geodesic.F... paw_electron.F:1266:30: 431 | > dcpl_mb(tmp2(1))) | 2 ...... 1266 | > dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1588:28: 426 | > dng, | 2 ...... 1588 | > dbl_mb(dn_cmp_smooth(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1589:28: 427 | > dbl_mb(dn_cmp_smooth(1)), | 2 ...... 1589 | > dng, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1631:32: 1268 | call Pack_c_unpack(1, dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 1631 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1632:32: 1269 | call D3dB_cr_fft3b(1, dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 1632 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1633:35: 1270 | call D3dB_r_Zero_Ends(1,dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 1633 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1381:32: 1381 | call D3dB_r_SMul1(1,scal1,dbl_mb(tmp1(1))) | 1 ...... 1638 | call D3dB_r_SMul1(1,scal1,dcpl_mb(vh(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1382:27: 1382 | call D3dB_rc_fft3f(1,dbl_mb(tmp1(1))) | 1 ...... 1637 | call D3dB_rc_fft3f(1,dcpl_mb(vh(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1383:25: 1383 | call Pack_c_pack(0,dbl_mb(tmp1(1))) | 1 ...... 1639 | call Pack_c_pack(0,dcpl_mb(vh(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1384:25: 430 | > dcpl_mb(vcomp(1)), | 2 ...... 1384 | call Pack_c_Copy(0,dbl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:225:42: 225 | call ycopy(2*(npack1)*(ne(1)+ne(2)),psi1,1,psi2,1) | 1 ...... 1317 | call ycopy(2*n2ft3d,0.0d0,0,dn,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:225:49: 225 | call ycopy(2*(npack1)*(ne(1)+ne(2)),psi1,1,psi2,1) | 1 ...... 1317 | call ycopy(2*n2ft3d,0.0d0,0,dn,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1469:29: 1443 | > call D3dB_rr_Sum2(1,dbl_mb(v_field(1)), | 2 ...... 1469 | call D3dB_rr_Sum2(1,dcpl_mb(vc(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1511:44: 1317 | call ycopy(2*n2ft3d,0.0d0,0,dn,1) | 2 ...... 1511 | call ycopy(4*nfft3d,dbl_mb(vall(1)),1,vall_out,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_geodesic.F:315:20: 315 | > dbl_mb( Vt(1)+shift2),n, | 1 ...... 671 | > A,2*npack, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_geodesic.F:318:20: 318 | > dbl_mb(tmp2(1)+shift2),n) | 1 ...... 674 | > U,2*npack) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_psi' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_psi' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a paw_psi.o paw_psi2.o paw_psi_new.o paw_psi_H.o paw_electron.o paw_geodesic.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_psi' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_psi' Making all in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cpsd' Compiling paw_sd.F... paw_sd.F:903:40: 331 | call ycopy(20,0.0d0,0,E,1) | 2 ...... 903 | call ycopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling paw_cpmd.F... paw_cpmd.F:538:40: 306 | call ycopy(30,0.0d0,0,E,1) | 2 ...... 538 | call ycopy(2*(ne(1)+ne(2))*npack1,dcpl_mb(psi1(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_cpmd.F:539:40: 306 | call ycopy(30,0.0d0,0,E,1) | 2 ...... 539 | > dcpl_mb(psi0(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling paw_inner_loop.F... paw_inner_loop.F:327:32: 293 | call ycopy(2*npack1*nemax,psi2,1,psi1,1) | 2 ...... 327 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop.F:327:40: 293 | call ycopy(2*npack1*nemax,psi2,1,psi1,1) | 2 ...... 327 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop.F:345:44: 303 | call Pack_c_Copy(1,psi1(1,n),psi_r(1,n)) | 2 ...... 345 | call Pack_c_Copy(0,dcpl_mb(tmp1(1)),dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:392:28: 375 | > dn_cmp_smooth, | 2 ...... 392 | > dcpl_mb(vh(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:409:32: 304 | call Pack_c_unpack(1,psi_r(1,n)) | 2 ...... 409 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:410:32: 305 | call D3dB_cr_fft3b(1,psi_r(1,n)) | 2 ...... 410 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:411:35: 306 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) | 2 ...... 411 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:603:41: 491 | call paw_ovlp_S(n2(ispin),psi1,psi2) ! psi2 = S*psi1 | 2 ...... 603 | call paw_ovlp_S(n2(ispin),psi1,psi_r) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop.F:675:25: 376 | > dcpl_mb(dng(1)), | 2 ...... 675 | > dn_cmp_smooth, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling paw_inner_loop_md.F... paw_inner_loop_md.F:331:32: 288 | call ycopy(2*npack1*nemax,psi1,1,psi0,1) | 2 ...... 331 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop_md.F:331:40: 288 | call ycopy(2*npack1*nemax,psi1,1,psi0,1) | 2 ...... 331 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop_md.F:356:44: 307 | call Pack_c_Copy(1,psi1(1,n),psi_r(1,n)) | 2 ...... 356 | call Pack_c_Copy(0,dcpl_mb(tmp1(1)),dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:403:28: 386 | > dn_cmp_smooth, | 2 ...... 403 | > dcpl_mb(vh(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:420:32: 308 | call Pack_c_unpack(1,psi_r(1,n)) | 2 ...... 420 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:421:32: 309 | call D3dB_cr_fft3b(1,psi_r(1,n)) | 2 ...... 421 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:422:35: 310 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) | 2 ...... 422 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:722:23: 387 | > dcpl_mb(dng(1)), | 2 ...... 722 | > dn_cmp_smooth, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling psi_marat_write.F... Compiling paw_output.F... paw_cpmd.F:200:46: 200 | integer icount,it_in,it_out,icount_shift | ^ Warning: 'icount_shift' may be used uninitialized [-Wmaybe-uninitialized] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cpsd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a paw_sd.o paw_cpmd.o paw_inner_loop.o paw_inner_loop_md.o psi_marat_write.o paw_output.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cpsd' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cpsd' Making all in cgsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cgsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cgsd' Compiling paw_energy.F... Compiling paw_noit_energy.F... Compiling paw_gradient.F... Compiling paw_stress.F... Compiling paw_minimizer.F... paw_minimizer.F:500:25: 497 | value = btdb_put(rtdb,'paw:energy',mt_dbl,1,EV) | 2 ...... 500 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_minimizer.F:511:25: 497 | value = btdb_put(rtdb,'paw:energy',mt_dbl,1,EV) | 2 ...... 511 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling paw_cgsd_energy.F... Compiling paw_cgminimize.F... paw_minimizer.F:505:72: 505 | > 3*nion,dbl_mb(fion(1))) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] paw_minimizer.F:64:25: 64 | integer i,k,ia,nion,minimizer,mapping,lmax,mapping1d | ^ note: 'nion' was declared here Compiling paw_bfgsminimize.F... Compiling paw_nominimize.F... Compiling paw_sdminimize.F... Compiling paw_cgsd_noit_energy.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cgsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cgsd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a paw_energy.o paw_noit_energy.o paw_gradient.o paw_stress.o paw_minimizer.o paw_cgsd_energy.o paw_cgminimize.o paw_bfgsminimize.o paw_nominimize.o paw_sdminimize.o paw_cgsd_noit_energy.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cgsd' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cgsd' Making all in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cell_optimize' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cell_optimize' Compiling paw_stress_numerical.F... Compiling paw_stress_fd.F... paw_stress_fd.F:91:53: 79 | > mt_log,1,lstress_numerical)) | 2 ...... 91 | > btdb_get(rtdb,'nwpw:stress_alpha',mt_dbl,1,alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). paw_stress_fd.F:134:19: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 134 | call ycopy(9,unita,1,unita2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_stress_fd.F:183:19: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 183 | call ycopy(9,unita,1,unita3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_stress_fd.F:237:19: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 237 | call ycopy(9,ke_stress,1,stress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_stress_fd.F:263:25: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 263 | call ycopy(6,lattice,1,lattice2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_stress_fd.F:308:25: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 308 | call ycopy(6,lattice,1,lattice3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_stress_fd.F:362:22: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 362 | call ycopy(6,ke_lstress,1,lstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling paw_cell_optimize.F... paw_cell_optimize.F:42:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 42 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_cell_optimize.F:46:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 46 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling paw_update_unitcell.F... paw_update_unitcell.F:31:72: 31 | call load_cellgeometry(geom,dbl_mb(r1(1)),unita) | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] paw_update_unitcell.F:15:19: 15 | integer r1(2),nion,nionplus3 | ^ note: 'r1' declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cell_optimize' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cell_optimize' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a paw_stress_numerical.o paw_stress_fd.o paw_cell_optimize.o paw_update_unitcell.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cell_optimize' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cell_optimize' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a task_paw.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpaw.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw' Making all in band make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band' Compiling band_input.F... band_input.F:282:54: 279 | > mulliken) | 2 ...... 282 | value = rtdb_put(rtdb,'band:fake_mass',mt_dbl,1,fake_mass) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band' Making all in minimizer make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/minimizer' Compiling task_band.F... make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/minimizer' Compiling band_energy.F... band_energy.F:69:51: 40 | if (.not.rtdb_get(rtdb,'nwpw:rho_use_symmetry',mt_log,1,use_sym)) | 2 ...... 69 | if (rtdb_get(rtdb,'band:wcut',mt_dbl,1,wcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). band_energy.F:86:58: 59 | > mt_log,1,.false.)) | 2 ...... 86 | value = rtdb_put(rtdb,'band:wcut',mt_dbl,1,wcut) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling band_noit_energy.F... Compiling band_gradient.F... Compiling band_stress.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band' Compiling band_minimizer.F... band_minimizer.F:648:25: 645 | value = btdb_put(rtdb,'band:energy',mt_dbl,1,EV) | 2 ...... 648 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_minimizer.F:658:25: 645 | value = btdb_put(rtdb,'band:energy',mt_dbl,1,EV) | 2 ...... 658 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) band_minimizer.F:661:25: 645 | value = btdb_put(rtdb,'band:energy',mt_dbl,1,EV) | 2 ...... 661 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling c_cgsd_energy.F... Compiling c_cgsd_noit_energy.F... band_minimizer.F:652:72: 652 | > 3*nion,dbl_mb(fion(1))) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] band_minimizer.F:61:25: 61 | integer i,k,ia,nion,vers,nbrillioun,nb,ms | ^ note: 'nion' was declared here Compiling c_cgsd_energy_gradient.F... Compiling c_cgsd_energy_stress.F... c_cgsd_energy_stress.F:64:19: 38 | call ycopy(9,0.0d0,0,stress,1) | 2 ...... 64 | call ycopy(9,tstress,1,xcstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling c_cgsd_excited.F... Compiling c_cgminimize.F... Compiling c_cgminimize2.F... Compiling c_cgminimizeABC.F... Compiling c_bfgsminimize.F... Compiling c_bfgsminimizeABC.F... Compiling c_bybminimize0.F... Compiling c_bybminimize.F... Compiling c_bybminimize2.F... c_bybminimize2.F:318:20: 283 | > dbl_mb(rho_in(1)),1, | 2 ...... 318 | > dcpl_mb(rho_out(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_bybminimize2.F:319:20: 284 | > dbl_mb(rho_junk(1)),1) | 2 ...... 319 | > dcpl_mb(rho_junk(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling c_sdminimize.F... Compiling c_nominimize.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/minimizer' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/minimizer' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a band_minimizer.o c_cgsd_energy.o c_cgsd_noit_energy.o c_cgsd_energy_gradient.o c_cgsd_energy_stress.o c_cgsd_excited.o c_cgminimize.o c_cgminimize2.o c_cgminimizeABC.o c_bfgsminimize.o c_bfgsminimizeABC.o c_bybminimize0.o c_bybminimize.o c_bybminimize2.o c_sdminimize.o c_nominimize.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/minimizer' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/minimizer' Making all in structure make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/structure' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/structure' Compiling band_structure.F... band_structure.F:693:38: 567 | > isize,dbl_mb(eigs_dos(1)))) then | 2 ...... 693 | > mt_int,1,norbs_dos)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling band_interpolate_structure.F... Compiling band_kp_structure.F... band_interpolate_structure.F:264:72: 264 | dist = dist + (kv(3)-kold(3))**2 | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] band_interpolate_structure.F:22:33: 22 | real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV | ^ note: 'kold[2]' was declared here band_interpolate_structure.F:263:72: 263 | dist = dist + (kv(2)-kold(2))**2 | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] band_interpolate_structure.F:22:33: 22 | real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV | ^ note: 'kold[1]' was declared here band_interpolate_structure.F:262:72: 262 | dist = (kv(1)-kold(1))**2 | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] band_interpolate_structure.F:22:33: 22 | real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here Compiling band_fft_structure.F... band_kp_structure.F:192:72: 192 | dist = dist + (kv(3)-kold(3))**2 | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] band_kp_structure.F:23:33: 23 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[2]' was declared here band_kp_structure.F:191:72: 191 | dist = dist + (kv(2)-kold(2))**2 | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] band_kp_structure.F:23:33: 23 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[1]' was declared here band_kp_structure.F:190:72: 190 | dist = (kv(1)-kold(1))**2 | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] band_kp_structure.F:23:33: 23 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here band_structure.F:745:72: 745 | dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] band_structure.F:60:37: 60 | real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut | ^ note: 'kold[1]' was declared here band_structure.F:745:72: 745 | dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] band_structure.F:60:37: 60 | real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut | ^ note: 'kold[0]' was declared here band_structure.F:745:72: 745 | dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] band_structure.F:60:37: 60 | real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut | ^ note: 'kold[2]' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/structure' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/structure' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a band_structure.o band_interpolate_structure.o band_kp_structure.o band_fft_structure.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/structure' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/structure' Making all in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/cpsd' Compiling band_sd.F... Compiling band_cpmd.F... band_sd.F:922:72: 922 | write(luout,1457) E(20),E(20)/n2(ispin) | ^ Warning: 'n2' may be used uninitialized [-Wmaybe-uninitialized] band_sd.F:43:31: 43 | integer ne(2),n1(2),n2(2),nemax,neq(2),nemaxq,neall | ^ note: 'n2' declared here band_sd.F:932:72: 932 | write(luout,1502) E(21),E(21)/n2(ispin) | ^ Warning: 'n2' may be used uninitialized [-Wmaybe-uninitialized] band_sd.F:43:31: 43 | integer ne(2),n1(2),n2(2),nemax,neq(2),nemaxq,neall | ^ note: 'n2' declared here Compiling band_inner_loop.F... band_inner_loop.F:389:72: 389 | > dte) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop.F:389:72: 389 | > dte) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop.F:389:72: 389 | > dte) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) Compiling band_inner_loop_md.F... band_inner_loop_md.F:311:35: 154 | call ycopy(2*nfft3d,0.0d0,0,dbl_mb(xcp(1)),1) | 2 ...... 311 | call ycopy(ispin*nfft3d,dn,1,dbl_mb(dnall(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:609:36: 609 | call Cram_c_SMul1(nb,-h,dbl_mb(psi0_shift)) | 1 ...... 757 | call Cram_c_SMul1(nb,2.0d0*sse,psi2(1,n)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_inner_loop_md.F:611:31: 611 | > dbl_mb(psi2_shift), | 1 ...... 807 | call Cram_cc_daxpy(nb,dt,psi0(1,n),psi2(1,n)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_inner_loop_md.F:612:31: 612 | > dbl_mb(psi0_shift)) | 1 ...... 807 | call Cram_cc_daxpy(nb,dt,psi0(1,n),psi2(1,n)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_inner_loop_md.F:516:17: 516 | if (np.gt.1) call Parallel_SumAll(eke) | ^ Warning: 'np' may be used uninitialized [-Wmaybe-uninitialized] band_inner_loop_md.F:41:38: 41 | integer n2ft3d,np_i,np_j,np_k,np,nbq,nemaxq | ^ note: 'np' declared here band_inner_loop_md.F:535:18: 535 | if (np.gt.1) call Parallel_SumAll(eke) | ^ Warning: 'np' may be used uninitialized [-Wmaybe-uninitialized] band_inner_loop_md.F:41:38: 41 | integer n2ft3d,np_i,np_j,np_k,np,nbq,nemaxq | ^ note: 'np' declared here band_cpmd.F:89:46: 89 | integer icount,it_in,it_out,icount_shift | ^ Warning: 'icount_shift' may be used uninitialized [-Wmaybe-uninitialized] band_cpmd.F:1061:72: 1061 | call print_elapsed_time(icount*it_in*dt) | ^ Warning: 'dt' may be used uninitialized [-Wmaybe-uninitialized] band_cpmd.F:85:22: 85 | real*8 EV,pi,dt,a,b,c,alpha,beta,gamma | ^ note: 'dt' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/cpsd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a band_sd.o band_cpmd.o band_inner_loop.o band_inner_loop_md.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/cpsd' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/cpsd' Making all in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/cell_optimize' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/cell_optimize' Compiling band_stress_numerical.F... Compiling band_stress_fd.F... Compiling band_cell_optimize.F... band_cell_optimize.F:42:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 42 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_cell_optimize.F:46:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 46 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling band_update_unitcell.F... band_update_unitcell.F:31:72: 31 | call load_cellgeometry(geom,dbl_mb(r1(1)),unita) | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] band_update_unitcell.F:15:19: 15 | integer r1(2),nion,nionplus3 | ^ note: 'r1' declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/cell_optimize' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/cell_optimize' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a band_stress_numerical.o band_stress_fd.o band_cell_optimize.o band_update_unitcell.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/cell_optimize' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/cell_optimize' Making all in kbpp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/kbpp' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/kbpp' Compiling cpsp_formatter_auto.F... Compiling borbs_formatter.F... Compiling kbpp_band.F... kbpp_band.F:113:27: 112 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) | 2 113 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). kbpp_band.F:368:23: 366 | call iwrite(2,psp_type,1) | 2 367 | call iwrite(2,version,1) 368 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band.F:371:23: 369 | call dwrite(2,unita,9) | 2 370 | call cwrite(2,atom,2) 371 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_band.F:372:23: 369 | call dwrite(2,unita,9) | 2 ...... 372 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_band.F:388:23: 369 | call dwrite(2,unita,9) | 2 ...... 388 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbpp_band_orb.F... kbpp_band_orb.F:104:48: 97 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 104 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band_orb.F:240:23: 239 | call iwrite(2,version,1) | 2 240 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band_orb.F:245:23: 241 | call dwrite(2,unita,9) | 2 ...... 245 | call dwrite(2,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_band_orb.F:246:23: 241 | call dwrite(2,unita,9) | 2 ...... 246 | call dwrite(2,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling setup_kbpp_band.f... Compiling integrate_kbpp_band_local.F... Compiling integrate_kbpp_band_nonlocal.F... Compiling integrate_kbpp_band_orb.F... Compiling kbpp_band_ray.F... Compiling integrate_kbpp_band_ray.F... Compiling integrate_kbpp_band_local_new.F... Compiling integrate_kbpp_band_nonlocal_new.F... Compiling cpsp_stress_formatter_auto.F... Compiling kbpp_band_stress.F... kbpp_band_stress.F:106:27: 104 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 105 | call BRDCST(9+MSGDBL,amass,mdtob(msglen),MASTER) 106 | call BRDCST(9+MSGINT,lmax0,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). kbpp_band_stress.F:110:27: 104 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 ...... 110 | call BRDCST(9+MSGDBL,rc,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band_stress.F:316:23: 315 | call iwrite(2,version,1) | 2 316 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbpp_band_stress_local.F... Compiling integrate_kbpp_band_stress_nonlocal.F... Compiling integrate_kbpp_band_stress_ray.F... Compiling integrate_kbpp_band_stress_local_new.F... Compiling integrate_kbpp_band_stress_nonlocal_new.F... Compiling HGH_band_local.F... Compiling HGH_band_nonlocal.F... Compiling Tesseral_band.F... Compiling Spherical_band.F... Compiling hghpp_band.F... hghpp_band.F:123:27: 118 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) | 2 ...... 123 | call BRDCST(9+MSGDBL,rloc,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hghpp_band.F:374:23: 372 | call iwrite(2,psp_type,1) | 2 373 | call iwrite(2,version,1) 374 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hghpp_band.F:377:23: 375 | call dwrite(2,unita,9) | 2 376 | call cwrite(2,atom,2) 377 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghpp_band.F:378:23: 375 | call dwrite(2,unita,9) | 2 ...... 378 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghpp_band.F:395:23: 375 | call dwrite(2,unita,9) | 2 ...... 395 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghpp_band.F:472:25: 375 | call dwrite(2,unita,9) | 2 ...... 472 | call dwrite(2,dcpl_mb(vnlso_indx),2*nsize*nprj) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling rkbpp_band.F... rkbpp_band.F:581:32: 581 | call ycopy(ngsize,0.0d0,0,vl,1) | 1 ...... 697 | call ycopy(nprj*ngx*ngy*ngz*4,0.0d0,0,vnl,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). rkbpp_band.F:625:43: 625 | call Parallel_Vector_SumAll(4*ngsize,rho_sc_k) | 1 ...... 773 | call Parallel_Vector_SumAll(ngx*ngy*ngz*4*nprj,vnl) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). rkbpp_band.F:108:27: 107 | call BRDCST(9+MSGINT,pspx,mitob(msglen),MASTER) | 2 108 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). rkbpp_band.F:341:22: 339 | call iwrite(2,psp_type,1) | 2 340 | call iwrite(2,version,1) 341 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rkbpp_band.F:344:22: 342 | call dwrite(2,unita,9) | 2 343 | call cwrite(2,atom,2) 344 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:345:22: 342 | call dwrite(2,unita,9) | 2 ...... 345 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:359:22: 342 | call dwrite(2,unita,9) | 2 ...... 359 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:363:22: 342 | call dwrite(2,unita,9) | 2 ...... 363 | call dwrite(2,dcpl_mb(vnl_indx),nsize*nprj_out*4) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling kbpp_e_band.F... rkbpp_band.F:854:72: 854 | return | ^ Warning: '__result_sjx' may be used uninitialized [-Wmaybe-uninitialized] rkbpp_band.F:791:25: 791 | real*8 function sjx(x,l,cosx,sinx) | ^ note: '__result_sjx' was declared here kbpp_e_band.F:125:48: 118 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 125 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band.F:126:49: 120 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 126 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band.F:386:23: 384 | call iwrite(2,psp_type,1) | 2 385 | call iwrite(2,version,1) 386 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band.F:389:23: 387 | call dwrite(2,unita,9) | 2 388 | call cwrite(2,atom,2) 389 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_e_band.F:390:23: 387 | call dwrite(2,unita,9) | 2 ...... 390 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_e_band.F:405:23: 387 | call dwrite(2,unita,9) | 2 ...... 405 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:761:72: 761 | f(k)=a*vv*rho(k) | ^ Warning: '__result_sjx' may be used uninitialized [-Wmaybe-uninitialized] rkbpp_band.F:791:25: 791 | real*8 function sjx(x,l,cosx,sinx) | ^ note: '__result_sjx' was declared here Compiling integrate_kbpp_e_band_nonlocal.F... Compiling integrate_kbpp_e_band_nonlocal_new.F... Compiling integrate_kbpp_e_band_local.F... Compiling integrate_kbpp_e_band_local_new.F... Compiling integrate_kbpp_e_band_ray.F... Compiling kbpp_e_band_stress.F... kbpp_e_band_stress.F:117:48: 109 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 117 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band_stress.F:118:49: 111 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 118 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band_stress.F:336:23: 335 | call iwrite(2,version,1) | 2 336 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbpp_e_band_stress_local.F... Compiling integrate_kbpp_e_band_stress_local_new.F... Compiling integrate_kbpp_e_band_stress_ray.F... Compiling integrate_kbpp_e_band_stress_nonlocal.F... Compiling integrate_kbpp_e_band_stress_nonlocal_new.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/kbpp' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/kbpp' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a cpsp_formatter_auto.o borbs_formatter.o kbpp_band.o kbpp_band_orb.o setup_kbpp_band.o integrate_kbpp_band_local.o integrate_kbpp_band_nonlocal.o integrate_kbpp_band_orb.o kbpp_band_ray.o integrate_kbpp_band_ray.o integrate_kbpp_band_local_new.o integrate_kbpp_band_nonlocal_new.o cpsp_stress_formatter_auto.o kbpp_band_stress.o integrate_kbpp_band_stress_local.o integrate_kbpp_band_stress_nonlocal.o integrate_kbpp_band_stress_ray.o integrate_kbpp_band_stress_local_new.o integrate_kbpp_band_stress_nonlocal_new.o HGH_band_local.o HGH_band_nonlocal.o Tesseral_band.o Spherical_band.o hghpp_band.o rkbpp_band.o kbpp_e_band.o integrate_kbpp_e_band_nonlocal.o integrate_kbpp_e_band_nonlocal_new.o integrate_kbpp_e_band_local.o integrate_kbpp_e_band_local_new.o integrate_kbpp_e_band_ray.o kbpp_e_band_stress.o integrate_kbpp_e_band_stress_local.o integrate_kbpp_e_band_stress_local_new.o integrate_kbpp_e_band_stress_ray.o integrate_kbpp_e_band_stress_nonlocal.o integrate_kbpp_e_band_stress_nonlocal_new.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/kbpp' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/kbpp' Making all in makepsi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/makepsi' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/makepsi' Compiling c_wvfnc_new.F... c_wvfnc_new.F:188:20: 187 | call iwrite(6,version,1) | 2 188 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_new.F:197:20: 187 | call iwrite(6,version,1) | 2 ...... 197 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_new.F:219:24: 189 | call dwrite(6,unita,9) | 2 ...... 219 | call dwrite(6,dcpl_mb(cfull_indx),2*nfft3d) !** should be writing zeros ** | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_new.F:305:30: 189 | call dwrite(6,unita,9) | 2 ...... 305 | call dwrite(6,rz,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) c_wvfnc_new.F:307:30: 189 | call dwrite(6,unita,9) | 2 ...... 307 | call dwrite(6,rx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) c_wvfnc_new.F:309:30: 189 | call dwrite(6,unita,9) | 2 ...... 309 | call dwrite(6,ry,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling c_wvfnc_expander.F... c_wvfnc_expander.F:58:19: 57 | call iread(5,version,1) | 2 58 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:66:19: 57 | call iread(5,version,1) | 2 ...... 66 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:79:20: 78 | call iwrite(6,version,1) | 2 79 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:82:20: 78 | call iwrite(6,version,1) | 2 ...... 82 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:111:23: 59 | call dread(5,unita,9) | 2 ...... 111 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_expander.F:118:24: 80 | call dwrite(6,unita,9) | 2 ...... 118 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_expander.F:127:23: 59 | call dread(5,unita,9) | 2 ...... 127 | call dread(5,rx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) c_wvfnc_expander.F:128:24: 80 | call dwrite(6,unita,9) | 2 ...... 128 | call dwrite(6,rx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling c_wvfnc_adjust.F... c_wvfnc_adjust.F:169:19: 168 | call iread(5,version,1) | 2 169 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:172:19: 168 | call iread(5,version,1) | 2 ...... 172 | call iread(5,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:179:20: 178 | call iwrite(6,version,1) | 2 179 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:182:20: 178 | call iwrite(6,version,1) | 2 ...... 182 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:227:22: 168 | call iread(5,version,1) | 2 ...... 227 | call iread(3,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:230:22: 168 | call iread(5,version,1) | 2 ...... 230 | call iread(3,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:248:28: 170 | call dread(5,unita,9) | 2 ...... 248 | call dread(5,dcpl_mb(cfull_indx),2*nfft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_adjust.F:310:26: 180 | call dwrite(6,unita,9) | 2 ...... 310 | call dwrite(6,dcpl_mb(cfull_indx),2*nfft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_adjust.F:463:19: 168 | call iread(5,version,1) | 2 ...... 463 | call iread(4,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:466:19: 168 | call iread(5,version,1) | 2 ...... 466 | call iread(4,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:419:19: 168 | call iread(5,version,1) | 2 ...... 419 | call iread(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:422:19: 168 | call iread(5,version,1) | 2 ...... 422 | call iread(2,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling c_v_wvfnc_new.F... c_v_wvfnc_new.F:56:20: 55 | call iwrite(6,version,1) | 2 56 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_v_wvfnc_new.F:64:20: 55 | call iwrite(6,version,1) | 2 ...... 64 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_v_wvfnc_new.F:74:24: 57 | call dwrite(6,unita,9) | 2 ...... 74 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_reformat_c_wvfnc.F... pspw_reformat_c_wvfnc.F:53:19: 52 | call iread(5,version,1) | 2 53 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:56:19: 52 | call iread(5,version,1) | 2 ...... 56 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:70:20: 69 | call iwrite(6,version,1) | 2 70 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:73:20: 69 | call iwrite(6,version,1) | 2 ...... 73 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:121:24: 54 | call dread(5,unita,9) | 2 ...... 121 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_reformat_c_wvfnc.F:125:24: 71 | call dwrite(6,unita,9) | 2 ...... 125 | call dwrite(6,dcpl_mb(cfull_out(1)),2*nfft3d_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_reformat_c_wvfnc.F:200:19: 52 | call iread(5,version,1) | 2 ...... 200 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:203:19: 52 | call iread(5,version,1) | 2 ...... 203 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:217:20: 69 | call iwrite(6,version,1) | 2 ...... 217 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:220:20: 69 | call iwrite(6,version,1) | 2 ...... 220 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:348:19: 52 | call iread(5,version,1) | 2 ...... 348 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:351:19: 52 | call iread(5,version,1) | 2 ...... 351 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:365:20: 69 | call iwrite(6,version,1) | 2 ...... 365 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:368:20: 69 | call iwrite(6,version,1) | 2 ...... 368 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/makepsi' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/makepsi' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a c_wvfnc_new.o c_wvfnc_expander.o c_wvfnc_adjust.o c_v_wvfnc_new.o pspw_reformat_c_wvfnc.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/makepsi' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/makepsi' Making all in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib' Making all in cpsp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/cpsp' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/cpsp' Compiling cpsp.F... Compiling cpsp_relativistic.F... cpsp.F:1954:22: 1952 | call iread(5,psp_type,1) | 2 1953 | call iread(5,version,1) 1954 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1957:22: 1955 | call dread(5,unita,9) | 2 1956 | call cread(5,atom,2) 1957 | call dread(5,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:1958:22: 1955 | call dread(5,unita,9) | 2 ...... 1958 | call dread(5,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:1967:24: 1952 | call iread(5,psp_type,1) | 2 ...... 1967 | call iread(5,n_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1968:24: 1952 | call iread(5,psp_type,1) | 2 ...... 1968 | call iread(5,l_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1969:24: 1952 | call iread(5,psp_type,1) | 2 ...... 1969 | call iread(5,m_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1982:22: 1955 | call dread(5,unita,9) | 2 ...... 1982 | call dread(5,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:2022:49: 2011 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 2022 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:2034:48: 2024 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 2034 | call Parallel_Brdcst_values(MASTER,msglen,amass) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:2036:48: 2024 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 2036 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:2048:49: 2011 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 2048 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:2049:49: 2011 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 2049 | call Parallel_Brdcst_ivalues(MASTER,msglen,l_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:2050:49: 2011 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 2050 | call Parallel_Brdcst_ivalues(MASTER,msglen,m_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:2061:48: 2024 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 2061 | call Parallel_Brdcst_values(MASTER,msglen,rcore) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:113:37: 113 | call ycopy(npsp*npack0,0.0d0,0,dbl_mb(vl(1)),1) | 1 ...... 1390 | call ycopy(2*nn*nprj,0.0d0,0,zsw2,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp.F:857:48: 771 | call C3dB_Vector_Sumall((3*ne(1)),dbl_mb(sum(1))) | 2 ...... 857 | call C3dB_Vector_SumAll((2*nn*nproj),dcpl_mb(zsw1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp.F:964:32: 964 | call yaxpy(3*nion,1.0d0,dbl_mb(ftmp(1)),1,fion,1) | 1 ...... 1402 | call yaxpy(2*nn,G(nb,na,la),zsw1(1,a),1,zsw2(1,b),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp.F:964:50: 964 | call yaxpy(3*nion,1.0d0,dbl_mb(ftmp(1)),1,fion,1) | 1 ...... 1402 | call yaxpy(2*nn,G(nb,na,la),zsw1(1,a),1,zsw2(1,b),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp.F:1566:23: 884 | > dbl_mb(psi2_shift), npack1) | 2 ...... 1566 | > orb2, npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp_relativistic.F:542:22: 335 | > orb2, npack1) | 2 ...... 542 | > dbl_mb(psi2_shift), npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp_relativistic.F:584:48: 294 | call C3dB_Vector_SumAll((2*nproj),dcpl_mb(zsw1u(1))) | 2 ...... 584 | call C3dB_Vector_Sumall(3*(nn),dbl_mb(sum(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp_relativistic.F:1168:34: 512 | > dbl_mb(psi1_shift), | 2 ...... 1168 | > psi1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp_relativistic.F:1394:15: 556 | > dbl_mb(psi_shift), | 2 ...... 1394 | > psi(pshftu), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling cpsp_projector.F... Compiling cpsp_stress.F... cpsp_relativistic.F:570:72: 570 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:383:25: 383 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp_relativistic.F:571:72: 571 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:383:25: 383 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp_relativistic.F:572:72: 572 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:383:25: 383 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here cpsp_stress.F:587:22: 586 | call iread(5,version,1) | 2 587 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp_stress.F:615:49: 605 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 615 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp_relativistic.F:837:72: 837 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:650:25: 650 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp_relativistic.F:838:72: 838 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:650:25: 650 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp_relativistic.F:839:72: 839 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:650:25: 650 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here cpsp.F:734:72: 734 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:639:25: 639 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp.F:735:72: 735 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:639:25: 639 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp.F:736:72: 736 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:639:25: 639 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here cpsp.F:643:31: 643 | integer occ_tag,occ_shift,occ1_shift | ^ Warning: 'occ_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:774:72: 774 | if (occ_tag.gt.0) occ_shift = occ1_shift | ^ Warning: 'occ1_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:643:42: 643 | integer occ_tag,occ_shift,occ1_shift | ^ note: 'occ1_shift' was declared here Compiling c_semicore.F... c_semicore.F:459:32: 436 | call ycopy(nfft3d,dbl_mb(c_G_indx(u)),1,dcpl_mb(Gu),1) | 2 ...... 459 | call ycopy(nfft3d,0.0d0,0,Aus,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp_stress.F:249:56: 249 | integer nproj,l_prj,psi1_shift,occ1_tag,occ1_shift,occ_shift | ^ Warning: 'occ1_shift' may be used uninitialized [-Wmaybe-uninitialized] Compiling c_semicore_force.F... cpsp.F:1104:72: 1104 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1009:25: 1009 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp.F:1105:72: 1105 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1009:25: 1009 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp.F:1106:72: 1106 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1009:25: 1009 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here cpsp.F:1013:31: 1013 | integer occ_tag,occ_shift,occ1_shift | ^ Warning: 'occ_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1144:72: 1144 | if (occ_tag.gt.0) occ_shift = occ1_shift | ^ Warning: 'occ1_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1013:42: 1013 | integer occ_tag,occ_shift,occ1_shift | ^ note: 'occ1_shift' was declared here cpsp.F:1609:33: 1609 | integer occ1_tag,occ1_shift,occ_shift | ^ Warning: 'occ1_shift' may be used uninitialized [-Wmaybe-uninitialized] make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/cpsp' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/cpsp' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/cpsp' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/cpsp' Making all in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/ke' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/ke' Compiling cke.F... cke.F:236:23: 161 | > dbl_mb(shift1),dbl_mb(shift2)) | 2 ...... 236 | > orb1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cke.F:237:23: 161 | > dbl_mb(shift1),dbl_mb(shift2)) | 2 ...... 237 | > orb2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cke.F:559:72: 559 | if (.not. value) call errquit('out of stack memory',0) | 1 Warning: Missing actual argument for argument '_formal_11' at (1) cke.F:566:30: 460 | call Cram_cc_dot(nbq,dbl_mb(psi_shift), | 2 ...... 566 | call Cram_cc_dot(nbq,psi(1,n),psi(1,n),x) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cke.F:594:72: 594 | if (.not. value) call errquit('error popping stack memory',0) | 1 Warning: Missing actual argument for argument '_formal_11' at (1) make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/ke' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/ke' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a cke.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/ke' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/ke' Making all in coulomb make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/coulomb' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/coulomb' Compiling c_coulomb.F... Compiling c_coulomb_screened.F... c_coulomb_screened.F:190:32: 165 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 ...... 190 | call ycopy(nfft3d,0.0d0,0,dbl_mb(glr(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). c_coulomb_screened.F:577:24: 165 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 ...... 577 | call ycopy(n2ft3d,dcpl_mb(gk(1)), 1,dbl_mb(gr(1)), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_coulomb_screened.F:609:27: 259 | call C3dB_rc_fft3f(1,dcpl_mb(gk(1))) | 2 ...... 609 | call C3dB_rc_fft3f(1,dbl_mb(gr(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/coulomb' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/coulomb' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a c_coulomb.o c_coulomb_screened.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/coulomb' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/coulomb' Making all in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/electron' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/electron' Compiling c_electron.F... Compiling cpsi_H.F... c_electron.F:1893:25: 1765 | call Cram_c_Copy(nb,dbl_mb(shiftk),dbl_mb(shiftr)) | 2 ...... 1893 | call Cram_c_Copy(0,dcpl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:1893:42: 1765 | call Cram_c_Copy(nb,dbl_mb(shiftk),dbl_mb(shiftr)) | 2 ...... 1893 | call Cram_c_Copy(0,dcpl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:1902:35: 1874 | call C3dB_r_SMul1(1,scal2,dn) | 2 ...... 1902 | call C3dB_r_SMul1(1,0.5d0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:320:28: 320 | call Cram_c_unpack(nb,dcpl_mb(tmp_r(1))) | 1 ...... 1767 | call Cram_c_unpack(nb, dbl_mb(shiftr)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:321:31: 321 | call C3dB_cr_pfft3b(1,nb,dcpl_mb(tmp_r(1))) | 1 ...... 1769 | call C3dB_cr_pfft3b(1,nb,dbl_mb(shiftr)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:328:20: 328 | > orb, | 1 ...... 1538 | > dbl_mb(psik_shift), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:329:20: 329 | > dcpl_mb(tmp_r(1)), | 1 ...... 1539 | > dbl_mb(psir_shift), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:330:20: 330 | > Horb) | 1 ...... 1540 | > dbl_mb(hpsi_shift)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:331:36: 331 | call Cram_c_SMul1(nb,(-1.0d0),Horb) | 1 ...... 1545 | call Cram_c_SMul1(nb,(-1.0d0),dbl_mb(hpsi_shift)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:377:72: 377 | > dte) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:377:72: 377 | > dte) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:377:72: 377 | > dte) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:1352:72: 1352 | call print_hml_tmp(ne(1),dbl_mb(hml_shift)) | 1 Warning: Type mismatch in argument 'a' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:2111:26: 1829 | call ycopy(ispin*nfft3d,0.0d0,0,dn,1) | 2 ...... 2111 | call ycopy(4*nfft3d,dcpl_mb(vall(1)),1,vall_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:2111:45: 1829 | call ycopy(ispin*nfft3d,0.0d0,0,dn,1) | 2 ...... 2111 | call ycopy(4*nfft3d,dcpl_mb(vall(1)),1,vall_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_H.F:173:31: 173 | > dbl_mb(Hpsi_shift)) | 1 ...... 454 | > Horb_k) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_H.F:326:29: 148 | > call C3dB_bb_Sum2(1,dbl_mb(Hpsir_shift),dcpl_mb(vpsi(1))) | 2 ...... 326 | > call C3dB_bb_Sum2(1,dcpl_mb(Horb_r(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_H.F:553:31: 437 | > orb_r, | 2 ...... 553 | > dbl_mb(psi_shift), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_H.F:154:72: 154 | if (dohfx) Hpsir_shift = Hpsir_shift + nshift1 | ^ Warning: 'hpsir_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsi_H.F:33:46: 33 | integer psi_shift,Hpsi_shift,Hpsir_shift,nshift1,nshift2 | ^ note: 'hpsir_shift' was declared here make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/electron' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/electron' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a c_electron.o cpsi_H.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/electron' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/electron' Making all in psi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/psi' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/psi' Compiling cpsi.F... Compiling c_geodesic.F... c_geodesic.F:928:25: 402 | > dbl_mb(ynewshift)) | 2 ...... 928 | > Ynew(1+(nb-1)*nbshift)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_geodesic.F:1018:25: 805 | > dbl_mb(tGshift),npack1, | 2 ...... 1018 | > tG(1+(nb-1)*nbshift),npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_geodesic.F:1507:30: 392 | > dbl_mb(vtshift), | 2 ...... 1507 | > dcpl_mb(Bdag), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_geodesic.F:1523:30: 1421 | > dbl_mb(cpsi_data_get_allptr(Vt_tag)), | 2 ...... 1523 | > dcpl_mb(tmp2(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_geodesic.F:1668:72: 1668 | denergy = denergy + denergyB | ^ Warning: 'denergy' is used uninitialized [-Wuninitialized] c_geodesic.F:1594:21: 1594 | real*8 denergy,denergyB,denergyA,denergyC,denergyBdag | ^ note: 'denergy' was declared here Compiling c_geodesic2.F... cpsi.F:1431:72: 1431 | call c_electron_run00(nb,psi2_tag) | 1 Warning: More actual than formal arguments in procedure call at (1) cpsi.F:4070:33: 203 | > dbl_mb(rho1(1)),1) | 2 ...... 4070 | call ycopy(2*isize,0.0d0,0,H,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi.F:4247:45: 4155 | call K1dB_Vector_SumAll(2*isize,H) | 2 ...... 4247 | call K1dB_Vector_SumAll(ne(1)+ne(2),dbl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi.F:4325:50: 3204 | > mt_log,1,psi_nogrid)) | 2 ...... 4325 | if (.not.btdb_get(rtdb,'dos:alpha',mt_dbl,1,alpha)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling cpsi_lmbda.F... Compiling cpsi_lmbda2.F... cpsi_lmbda2.F:79:72: 79 | call cpsi_gen_UD(ms,nb,tmp(Bs),tmp(D)) | 1 Warning: Type mismatch in argument 'd' at (1); passed COMPLEX(8) to REAL(8) cpsi_lmbda2.F:85:72: 85 | > failed) | 1 Warning: Type mismatch in argument 'd' at (1); passed COMPLEX(8) to REAL(8) Compiling cpsi_KS.F... Compiling BGrsm.F... cpsi_KS.F:3326:33: 3324 | > dcpl_mb(r1(1))) | 2 3325 | call Cram_c_Copy(nb,dbl_mb(psi1_shift+(j-1)*nshift), 3326 | > dbl_mb(psi1_shift+(i-1)*nshift)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:3327:33: 3323 | call Cram_c_Copy(nb,dbl_mb(psi1_shift+(i-1)*nshift), | 2 ...... 3327 | call Cram_c_Copy(nb,dcpl_mb(r1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_KS.F:3049:29: 2743 | call Cram_cc_dot(nb,dcpl_mb(g(1)),dcpl_mb(g(1)),sum) | 2 ...... 3049 | call Cram_cc_dot(nb,dbl_mb(psi_ptr), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:3084:31: 3066 | call Cram_cc_daxpy(nb,e0,dbl_mb(psi_ptr),dcpl_mb(r1(1))) | 2 ...... 3084 | > dcpl_mb(t0(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_KS.F:3241:25: 3066 | call Cram_cc_daxpy(nb,e0,dbl_mb(psi_ptr),dcpl_mb(r1(1))) | 2 ...... 3241 | > dbl_mb(psi_ptr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:1728:72: 1728 | > dbl_mb(psi_ptr)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:1733:20: 1733 | > dbl_mb(psi_ptr), | 1 ...... 2743 | call Cram_cc_dot(nb,dcpl_mb(g(1)),dcpl_mb(g(1)),sum) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:1748:36: 1748 | call Cram_c_SMul1(nb,sum,dbl_mb(psi_ptr)) | 1 ...... 2745 | call Cram_c_SMul1(nb,sum,dcpl_mb(g(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:1622:72: 1622 | > dbl_mb(psi1_shift+(i-1)*nshift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:1202:24: 1202 | > tau_t) | 1 ...... 3238 | > dbl_mb(psi_ptr)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_KS.F:542:72: 542 | > call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:618:72: 618 | > call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:707:72: 707 | call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:2679:72: 2679 | call cpsi_project_out_virtual1(nb,ii,dbl_mb(epsi_ptr)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:2700:72: 2700 | call cpsi_corrector_orb(nb,dbl_mb(epsi_ptr)) | 1 Warning: Type mismatch in argument 'orb' at (1); passed REAL(8) to COMPLEX(8) BGrsm.F:113:34: 83 | call ycopy(nsize,0.0d0,0,A,1) | 2 ...... 113 | call ycopy(nsize,0.0d0,0,dbl_mb(a_shift),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). BGrsm.F:138:23: 83 | call ycopy(nsize,0.0d0,0,A,1) | 2 ...... 138 | call ycopy(nsize,A,1,C,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling cpsi_spin2.F... Compiling c_check.F... Compiling cpsi_read.F... cpsi_read.F:102:22: 101 | call iread(5,version,1) | 2 102 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:105:22: 101 | call iread(5,version,1) | 2 ...... 105 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:115:56: 113 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 114 | msglen = 3 115 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:121:56: 113 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 121 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:272:48: 209 | call cpsi_data_add(psi2_tag,nbq,q,dcpl_mb(tmp2(1))) | 2 ...... 272 | call cpsi_data_add(l,nbq,n,dbl_mb(tmpe(1)+n-1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_read.F:403:22: 101 | call iread(5,version,1) | 2 ...... 403 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:406:22: 101 | call iread(5,version,1) | 2 ...... 406 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:415:56: 113 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 415 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:421:56: 113 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 421 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:649:22: 101 | call iread(5,version,1) | 2 ...... 649 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:652:22: 101 | call iread(5,version,1) | 2 ...... 652 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:662:49: 660 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 661 | msglen = 3 662 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:668:49: 660 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 668 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cpsi_write.F... cpsi_write.F:108:26: 107 | call iwrite(6,version,1) | 2 108 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:117:26: 107 | call iwrite(6,version,1) | 2 ...... 117 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:310:26: 107 | call iwrite(6,version,1) | 2 ...... 310 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:319:26: 107 | call iwrite(6,version,1) | 2 ...... 319 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:449:23: 107 | call iwrite(6,version,1) | 2 ...... 449 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:458:23: 107 | call iwrite(6,version,1) | 2 ...... 458 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:462:24: 107 | call iwrite(6,version,1) | 2 ...... 462 | call iwrite(37,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:465:24: 107 | call iwrite(6,version,1) | 2 ...... 465 | call iwrite(37,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:589:23: 107 | call iwrite(6,version,1) | 2 ...... 589 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:598:23: 107 | call iwrite(6,version,1) | 2 ...... 598 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling crho_read.F... crho_read.F:87:25: 86 | call iread(5,version,1) | 2 87 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) crho_read.F:110:56: 101 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 110 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling crho_write.F... crho_write.F:90:26: 89 | call iwrite(6,version,1) | 2 90 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cpsi_new.F... Compiling v_cpsi_new.F... Compiling v_cpsi_read.F... v_cpsi_read.F:90:22: 89 | call iread(5,version,1) | 2 90 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:93:22: 89 | call iread(5,version,1) | 2 ...... 93 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:103:49: 101 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 102 | msglen = 3 103 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:109:49: 101 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 109 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:203:50: 185 | call cpsi_data_add(psi0_tag,nbq,q,dcpl_mb(tmp2(1))) | 2 ...... 203 | call cpsi_data_add(l,nbq,n,dbl_mb(tmpe(1)+n-1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling v_cpsi_write.F... v_cpsi_write.F:92:23: 91 | call iwrite(6,version,1) | 2 92 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_write.F:101:23: 91 | call iwrite(6,version,1) | 2 ...... 101 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling c_rho_symmetrizer.F... Compiling cpsi_printeigall.F... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/psi' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/psi' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a cpsi.o c_geodesic.o c_geodesic2.o cpsi_lmbda.o cpsi_lmbda2.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o crho_read.o crho_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o c_rho_symmetrizer.o cpsi_printeigall.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/psi' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/psi' Making all in hfx make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/hfx' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/hfx' Compiling band_hfx.F... band_hfx.F:53:37: 41 | if (.not.btdb_get(rtdb,'band:HFX',mt_log,1,hfx_on)) | 2 ...... 53 | > mt_dbl,1,rcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). band_hfx.F:357:72: 357 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:357:72: 357 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'hpsi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:469:72: 469 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:469:72: 469 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:469:72: 469 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:498:72: 498 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:498:72: 498 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'hpsi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:588:37: 309 | call ycopy(4*nbrillq_max,0.0d0,0,dbl_mb(kw_rep1(1)),1) | 2 ...... 588 | call ycopy(2*nfft3d,0.0d0,0,Horb_r,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_hfx.F:599:72: 599 | > orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/hfx' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/hfx' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a band_hfx.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/hfx' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/hfx' Making all in Grsm_list make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/Grsm_list' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/Grsm_list' Compiling band_Grsm_list.F... Compiling band_lmbfgs.F... band_lmbfgs.F:86:32: 30 | call yscal(ngras,(-1.0d0),g,1) | 2 ...... 86 | call yscal(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_lmbfgs.F:88:40: 31 | call band_Grsm_list_store(2*m-1,g) | 2 ...... 88 | call band_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_lmbfgs.F:100:25: 95 | > dbl_mb(ss(1)),npack1, | 2 ...... 100 | > s,npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_lmbfgs.F:103:35: 85 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 103 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_lmbfgs.F:103:51: 85 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 103 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/Grsm_list' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/Grsm_list' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a band_Grsm_list.o band_lmbfgs.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/Grsm_list' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/Grsm_list' Making all in borbs make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/borbs' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/borbs' Compiling borbs.F... borbs.F:447:22: 446 | call iread(5,version,1) | 2 447 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) borbs.F:452:22: 448 | call dread(5,unita,9) | 2 ...... 452 | call dread(5,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:453:22: 448 | call dread(5,unita,9) | 2 ...... 453 | call dread(5,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:494:49: 483 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 494 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) borbs.F:501:49: 483 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 501 | call Parallel_Brdcst_ivalues(MASTER,msglen,iatom) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) borbs.F:509:48: 496 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 509 | call Parallel_Brdcst_values(MASTER,msglen,rcut) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:510:48: 496 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 510 | call Parallel_Brdcst_values(MASTER,msglen,lmbda) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:612:72: 612 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) Compiling borb_projector.F... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/borbs' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/borbs' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a borbs.o borb_projector.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/borbs' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/borbs' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib' Making all in dplot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/dplot' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/dplot' Compiling band_dplot_input.F... band_dplot_input.F:304:42: 82 | value = rtdb_put(rtdb,'band_dplot:count',mt_int,1,count) | 2 ...... 304 | > mt_dbl,3,o) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling band_dplot.F... band_dplot.F:661:49: 626 | call K1dB_Vector_SumAll(nfft3d,dbl_mb(rho(1))) | 2 ...... 661 | call K1dB_Vector_SumAll(2*nfft3d,dcpl_mb(orb(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_dplot.F:1018:30: 433 | if (btdb_get(rtdb,'band_dplot:3d_grid:nx',mt_int,1,i)) | 2 ...... 1018 | > mt_dbl,1,position_tolerance)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). band_dplot.F:895:30: 895 | call ycopy(ispin*nfft3d,0.0d0,0,dn,1) | 1 ...... 1765 | call ycopy(2*nfft3d,orb,1,dcpl_mb(tmp2(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_dplot.F:895:38: 895 | call ycopy(ispin*nfft3d,0.0d0,0,dn,1) | 1 ...... 1765 | call ycopy(2*nfft3d,orb,1,dcpl_mb(tmp2(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_dplot.F:928:36: 928 | call yscal(ispin*nfft3d,scal2,dn,1) | 1 ...... 1766 | call yscal(2*nfft3d,scal1,dcpl_mb(tmp2(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling band_dplot_iteration.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/dplot' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/dplot' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a band_dplot_input.o band_dplot.o band_dplot_iteration.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/dplot' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/dplot' Making all in analysis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/analysis' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/analysis' Making all in APC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/analysis/APC' Compiling band_analysis.F... make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/analysis/APC' band_analysis.F:161:40: 138 | if (.not. btdb_get(rtdb,id,mt_int,1,int_mb(lorb(1)+k-1))) then | 2 ...... 161 | > dbl_mb(b0(1)+(k-1)*6))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). band_analysis.F:312:44: 310 | call ycopy(nemax,0.0d0,0,dbl_mb(eig(1)),1) | 2 311 | call ycopy(nemax,0.0d0,0,dbl_mb(sum(1)),1) 312 | call ycopy(2*36*nion*nemax,0.0d0,0,dcpl_mb(a(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_analysis.F:333:49: 331 | call K1dB_Vector_SumAll(nemax,dbl_mb(eig(1))) | 2 332 | call K1dB_Vector_SumAll(nemax,dbl_mb(sum(1))) 333 | call K1dB_Vector_SumAll(2*36*nion*nemax,dcpl_mb(a(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling orb_pop_borb.F... band_analysis.F:341:63: 341 | WRITE(luout,1510) N,SPN(SPIN),dbl_mb(sum_shift+N-1), | ^ Warning: 'sum_shift' may be used uninitialized [-Wmaybe-uninitialized] band_analysis.F:52:31: 52 | integer A_shift,sum_shift,psi_shift,eig_shift | ^ note: 'sum_shift' was declared here Compiling band_APC.F... band_APC.F:55:52: 51 | if (.not.btdb_get(rtdb,'nwpw:APC',mt_log,1,doapc)) | 2 ...... 55 | value = btdb_get(rtdb,'nwpw_APC:nga',mt_int,1,nga) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling band_atom_Efield.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/analysis' make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/analysis/APC' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/analysis/APC' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a band_APC.o band_atom_Efield.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/analysis/APC' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/analysis/APC' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/analysis' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a band_analysis.o orb_pop_borb.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/analysis' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/analysis' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a band_input.o task_band.o band_energy.o band_noit_energy.o band_gradient.o band_stress.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libband.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band' Making all in ofpw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw' Making all in minimizer make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/minimizer' Compiling ofpw_energy.F... make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/minimizer' Compiling task_ofpw.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw' Compiling ofpw_minimizer.F... ofpw_minimizer.F:503:25: 500 | value = btdb_put(rtdb,'ofpw:energy',mt_dbl,1,EV) | 2 ...... 503 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ofpw_minimizer.F:514:25: 500 | value = btdb_put(rtdb,'ofpw:energy',mt_dbl,1,EV) | 2 ...... 514 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) ofpw_minimizer.F:517:25: 500 | value = btdb_put(rtdb,'ofpw:energy',mt_dbl,1,EV) | 2 ...... 517 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ofpw_cgsd_energy.F... ofpw_minimizer.F:508:72: 508 | > 3*nion,dbl_mb(fion(1))) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] ofpw_minimizer.F:63:25: 63 | integer i,k,ia,nion,minimizer,mapping,mapping1d | ^ note: 'nion' was declared here ofpw_cgsd_energy.F:156:34: 156 | if ((deltae.lt.tole).and. | ^ Warning: 'deltac' may be used uninitialized [-Wmaybe-uninitialized] ofpw_cgsd_energy.F:29:37: 29 | real*8 tole,tolc,deltae,deltac,deltae_old | ^ note: 'deltac' declared here Compiling ofpw_cgminimize.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/minimizer' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/minimizer' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libofpw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libofpw.a ofpw_minimizer.o ofpw_cgsd_energy.o ofpw_cgminimize.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libofpw.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libofpw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libofpw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/minimizer' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/minimizer' Making all in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/cpsd' Compiling ofpwsd.F... Compiling inner_loop_ofpw.F... inner_loop_ofpw.F:160:32: 141 | call ycopy(2*npack0,0.0d0,0,dcpl_mb(vl(1)),1) | 2 ...... 160 | call ycopy(n2ft3d,0.0d0,0,dbl_mb(v_wgc(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). inner_loop_ofpw.F:196:34: 141 | call ycopy(2*npack0,0.0d0,0,dcpl_mb(vl(1)),1) | 2 ...... 196 | call ycopy(2*npack1*ispin,psi2,1,psi1,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_ofpw.F:238:44: 211 | call Pack_c_Copy(1,psi1(1,n),psi_r(1,n)) | 2 ...... 238 | call Pack_c_Copy(0,dcpl_mb(tmp1(1)),dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_ofpw.F:249:36: 234 | call D3dB_r_SMul(1,scal1,dbl_mb(rho(1)),dcpl_mb(tmp1(1))) | 2 ...... 249 | call D3dB_r_SMul(1,0.5d0,dcpl_mb(tmp1(1)),dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_ofpw.F:255:27: 233 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 255 | > dcpl_mb(tmp1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling chi_lmbda.f... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/cpsd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libofpw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libofpw.a ofpwsd.o inner_loop_ofpw.o chi_lmbda.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libofpw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libofpw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/cpsd' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/cpsd' Making all in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib' Making all in chi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/chi' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/chi' Compiling chi_read.F... chi_read.F:73:22: 72 | call iread(5,version,1) | 2 73 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_read.F:76:22: 72 | call iread(5,version,1) | 2 ...... 76 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_read.F:84:49: 82 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 83 | msglen = 3 84 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_read.F:90:49: 82 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 90 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling chi_write.F... chi_write.F:86:23: 85 | call iwrite(6,version,1) | 2 86 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_write.F:89:23: 85 | call iwrite(6,version,1) | 2 ...... 89 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling chi_new.F... Compiling chi_expander.F... chi_expander.F:60:19: 59 | call iread(5,version,1) | 2 60 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:63:19: 59 | call iread(5,version,1) | 2 ...... 63 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:72:20: 71 | call iwrite(6,version,1) | 2 72 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:75:20: 71 | call iwrite(6,version,1) | 2 ...... 75 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:100:23: 61 | call dread(5,unita,9) | 2 ...... 100 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). chi_expander.F:106:24: 73 | call dwrite(6,unita,9) | 2 ...... 106 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/chi' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/chi' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libofpw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libofpw.a chi_read.o chi_write.o chi_new.o chi_expander.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libofpw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libofpw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/chi' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/chi' Making all in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/electron' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/electron' Compiling chi_H.F... Compiling chi_Hv4.F... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/electron' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/electron' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libofpw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libofpw.a chi_H.o chi_Hv4.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libofpw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libofpw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/electron' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/electron' Making all in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/ke' Compiling v_thomasfermi.F... make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/ke' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libofpw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libofpw.a v_thomasfermi.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libofpw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libofpw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/ke' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/ke' Making all in WGC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/WGC' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/WGC' Compiling wgc.F... wgc.F:345:51: 230 | call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dbl_mb(rho1(1))) | 2 ...... 345 | call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:346:33: 231 | call D3dB_r_notZero_Ends(1,dbl_mb(rho1(1))) | 2 ...... 346 | call D3dB_r_notZero_Ends(1,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:347:37: 232 | call D3dB_r_Power1(1,wgc_tune1,dbl_mb(rho1(1))) | 2 ...... 347 | call D3dB_r_Power1(1,wgc_tune1,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:348:30: 233 | call D3dB_r_Zero_Ends(1,dbl_mb(rho1(1))) | 2 ...... 348 | call D3dB_r_Zero_Ends(1,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:350:30: 235 | call D3dB_rc_pfft3f(1,0,dbl_mb(rho1(1))) | 2 ...... 350 | call D3dB_rc_pfft3f(1,0,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:351:25: 236 | call Pack_c_pack(0,dbl_mb(rho1(1))) | 2 ...... 351 | call Pack_c_pack(0,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/WGC' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/WGC' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libofpw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libofpw.a wgc.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libofpw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libofpw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/WGC' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/WGC' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libofpw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libofpw.a ofpw_energy.o task_ofpw.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libofpw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libofpw.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpw.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpw.a nwpw_input.o nwpw_default.o nwpw_vectors_input.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpw.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpw.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpw.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw' Making libraries in fft make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft' Making all in pfft1.0 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfft1.0' Making all in fftpack make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfft1.0/fftpack' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfft1.0/fftpack' Compiling dcfftb.F... Compiling scfftb.F... Compiling dcfftf.F... Compiling scfftf.F... Compiling dcffti.F... Compiling scffti.F... Compiling dcftb1.F... Compiling scftb1.F... Compiling dcftf1.F... Compiling scftf1.F... Compiling dcfti1.F... dcfti1.F:19:72: 19 | if (j.gt.4) ntry = ntry + 2 | ^ Warning: 'ntry' may be used uninitialized [-Wmaybe-uninitialized] dcfti1.F:18:22: 18 | if (j.le.4) ntry = ntryh(j) | ^ note: 'ntry' was declared here Compiling scfti1.F... scfti1.F:14:72: 14 | 103 ntry = ntry+2 | ^ Warning: 'ntry' may be used uninitialized [-Wmaybe-uninitialized] scfti1.F:12:10: 12 | 102 ntry = ntryh(j) | ^ note: 'ntry' was declared here Compiling dpssb.F... Compiling spssb.F... Compiling dpssb2.F... dpssb2.F:25:41: 20 | do 103 i=2,ido,2 | 2 ...... 25 | ch(i,k,2) = wa1(i-1)*ti2+wa1(i)*tr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb2.F:26:43: 20 | do 103 i=2,ido,2 | 2 ...... 26 | ch(i-1,k,2) = wa1(i-1)*tr2-wa1(i)*ti2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssb2.F... Compiling dpssb3.F... dpssb3.F:46:41: 33 | do 103 i=2,ido,2 | 2 ...... 46 | ch(i,k,2) = wa1(i-1)*di2+wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:47:43: 33 | do 103 i=2,ido,2 | 2 ...... 47 | ch(i-1,k,2) = wa1(i-1)*dr2-wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:48:41: 33 | do 103 i=2,ido,2 | 2 ...... 48 | ch(i,k,3) = wa2(i-1)*di3+wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:49:43: 33 | do 103 i=2,ido,2 | 2 ...... 49 | ch(i-1,k,3) = wa2(i-1)*dr3-wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssb3.F... Compiling dpssb4.F... dpssb4.F:51:43: 34 | do 103 i=2,ido,2 | 2 ...... 51 | ch(i-1,k,2) = wa1(i-1)*cr2-wa1(i)*ci2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:52:41: 34 | do 103 i=2,ido,2 | 2 ...... 52 | ch(i,k,2) = wa1(i-1)*ci2+wa1(i)*cr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:53:43: 34 | do 103 i=2,ido,2 | 2 ...... 53 | ch(i-1,k,3) = wa2(i-1)*cr3-wa2(i)*ci3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:54:41: 34 | do 103 i=2,ido,2 | 2 ...... 54 | ch(i,k,3) = wa2(i-1)*ci3+wa2(i)*cr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:55:43: 34 | do 103 i=2,ido,2 | 2 ...... 55 | ch(i-1,k,4) = wa3(i-1)*cr4-wa3(i)*ci4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:56:41: 34 | do 103 i=2,ido,2 | 2 ...... 56 | ch(i,k,4) = wa3(i-1)*ci4+wa3(i)*cr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssb4.F... Compiling dpssb5.F... dpssb5.F:81:43: 54 | do 103 i=2,ido,2 | 2 ...... 81 | ch(i-1,k,2) = wa1(i-1)*dr2-wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:82:41: 54 | do 103 i=2,ido,2 | 2 ...... 82 | ch(i,k,2) = wa1(i-1)*di2+wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:83:43: 54 | do 103 i=2,ido,2 | 2 ...... 83 | ch(i-1,k,3) = wa2(i-1)*dr3-wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:84:41: 54 | do 103 i=2,ido,2 | 2 ...... 84 | ch(i,k,3) = wa2(i-1)*di3+wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:85:43: 54 | do 103 i=2,ido,2 | 2 ...... 85 | ch(i-1,k,4) = wa3(i-1)*dr4-wa3(i)*di4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:86:41: 54 | do 103 i=2,ido,2 | 2 ...... 86 | ch(i,k,4) = wa3(i-1)*di4+wa3(i)*dr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:87:43: 54 | do 103 i=2,ido,2 | 2 ...... 87 | ch(i-1,k,5) = wa4(i-1)*dr5-wa4(i)*di5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:88:41: 54 | do 103 i=2,ido,2 | 2 ...... 88 | ch(i,k,5) = wa4(i-1)*di5+wa4(i)*dr5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssb5.F... Compiling dpssf.F... Compiling spssf.F... Compiling dpssf2.F... dpssf2.F:25:41: 20 | do 103 i=2,ido,2 | 2 ...... 25 | ch(i,k,2) = wa1(i-1)*ti2-wa1(i)*tr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf2.F:26:43: 20 | do 103 i=2,ido,2 | 2 ...... 26 | ch(i-1,k,2) = wa1(i-1)*tr2+wa1(i)*ti2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssf2.F... Compiling dpssf3.F... dpssf3.F:44:41: 31 | do 103 i=2,ido,2 | 2 ...... 44 | ch(i,k,2) = wa1(i-1)*di2-wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:45:43: 31 | do 103 i=2,ido,2 | 2 ...... 45 | ch(i-1,k,2) = wa1(i-1)*dr2+wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:46:41: 31 | do 103 i=2,ido,2 | 2 ...... 46 | ch(i,k,3) = wa2(i-1)*di3-wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:47:43: 31 | do 103 i=2,ido,2 | 2 ...... 47 | ch(i-1,k,3) = wa2(i-1)*dr3+wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssf3.F... Compiling dpssf4.F... dpssf4.F:51:43: 34 | do 103 i=2,ido,2 | 2 ...... 51 | ch(i-1,k,2) = wa1(i-1)*cr2+wa1(i)*ci2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:52:41: 34 | do 103 i=2,ido,2 | 2 ...... 52 | ch(i,k,2) = wa1(i-1)*ci2-wa1(i)*cr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:53:43: 34 | do 103 i=2,ido,2 | 2 ...... 53 | ch(i-1,k,3) = wa2(i-1)*cr3+wa2(i)*ci3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:54:41: 34 | do 103 i=2,ido,2 | 2 ...... 54 | ch(i,k,3) = wa2(i-1)*ci3-wa2(i)*cr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:55:43: 34 | do 103 i=2,ido,2 | 2 ...... 55 | ch(i-1,k,4) = wa3(i-1)*cr4+wa3(i)*ci4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:56:41: 34 | do 103 i=2,ido,2 | 2 ...... 56 | ch(i,k,4) = wa3(i-1)*ci4-wa3(i)*cr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssf4.F... Compiling dpssf5.F... dpssf5.F:76:43: 49 | do 103 i=2,ido,2 | 2 ...... 76 | ch(i-1,k,2) = wa1(i-1)*dr2+wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:77:41: 49 | do 103 i=2,ido,2 | 2 ...... 77 | ch(i,k,2) = wa1(i-1)*di2-wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:78:43: 49 | do 103 i=2,ido,2 | 2 ...... 78 | ch(i-1,k,3) = wa2(i-1)*dr3+wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:79:41: 49 | do 103 i=2,ido,2 | 2 ...... 79 | ch(i,k,3) = wa2(i-1)*di3-wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:80:43: 49 | do 103 i=2,ido,2 | 2 ...... 80 | ch(i-1,k,4) = wa3(i-1)*dr4+wa3(i)*di4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:81:41: 49 | do 103 i=2,ido,2 | 2 ...... 81 | ch(i,k,4) = wa3(i-1)*di4-wa3(i)*dr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:82:43: 49 | do 103 i=2,ido,2 | 2 ...... 82 | ch(i-1,k,5) = wa4(i-1)*dr5+wa4(i)*di5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:83:41: 49 | do 103 i=2,ido,2 | 2 ...... 83 | ch(i,k,5) = wa4(i-1)*di5-wa4(i)*dr5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssf5.F... Compiling drfftb.F... Compiling srfftb.F... Compiling drfftf.F... Compiling srfftf.F... Compiling drffti.F... Compiling srffti.F... Compiling drftb1.F... Compiling srftb1.F... Compiling drftf1.F... Compiling srftf1.F... Compiling drfti1.F... Compiling srfti1.F... srfti1.F:16:72: 16 | 103 ntry = ntry+2 | ^ Warning: 'ntry' may be used uninitialized [-Wmaybe-uninitialized] srfti1.F:14:10: 14 | 102 ntry = ntryh(j) | ^ note: 'ntry' was declared here Compiling dradb2.F... dradb2.F:33:44: 28 | do i = 1, (ido - 1)/2 | 2 ...... 33 | ch(i*2,k,2) = wa1(i*2-1)*tr2 - wa1(i*2)*ti2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb2.F:34:46: 28 | do i = 1, (ido - 1)/2 | 2 ...... 34 | ch(1+i*2,k,2) = wa1(i*2-1)*ti2 + wa1(i*2)*tr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradb2.F... Compiling dradb3.F... dradb3.F:46:44: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 46 | ch(i*2,k,2) = wa1(i*2-1)*dr2 - wa1(i*2)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:47:46: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 47 | ch(1+i*2,k,2) = wa1(i*2-1)*di2 + wa1(i*2)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:48:44: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 48 | ch(i*2,k,3) = wa2(i*2-1)*dr3 - wa2(i*2)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:49:46: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 49 | ch(1+i*2,k,3) = wa2(i*2-1)*di3 + wa2(i*2)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradb3.F... Compiling dradb4.F... dradb4.F:54:44: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 54 | ch(i*2,k,2) = wa1(i*2-1)*cr2 - wa1(i*2)*ci2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:55:46: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 55 | ch(1+i*2,k,2) = wa1(i*2-1)*ci2 + wa1(i*2)*cr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:56:44: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 56 | ch(i*2,k,3) = wa2(i*2-1)*cr3 - wa2(i*2)*ci3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:57:46: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 57 | ch(1+i*2,k,3) = wa2(i*2-1)*ci3 + wa2(i*2)*cr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:58:44: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 58 | ch(i*2,k,4) = wa3(i*2-1)*cr4 - wa3(i*2)*ci4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:59:46: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 59 | ch(1+i*2,k,4) = wa3(i*2-1)*ci4 + wa3(i*2)*cr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradb4.F... Compiling dradb5.F... dradb5.F:71:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 71 | ch(i*2,k,2) = wa1(i*2-1)*dr2 - wa1(i*2)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:72:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 72 | ch(1+i*2,k,2) = wa1(i*2-1)*di2 + wa1(i*2)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:73:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 73 | ch(i*2,k,3) = wa2(i*2-1)*dr3 - wa2(i*2)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:74:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 74 | ch(1+i*2,k,3) = wa2(i*2-1)*di3 + wa2(i*2)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:75:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 75 | ch(i*2,k,4) = wa3(i*2-1)*dr4 - wa3(i*2)*di4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:76:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 76 | ch(1+i*2,k,4) = wa3(i*2-1)*di4 + wa3(i*2)*dr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:77:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 77 | ch(i*2,k,5) = wa4(i*2-1)*dr5 - wa4(i*2)*di5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:78:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 78 | ch(1+i*2,k,5) = wa4(i*2-1)*di5 + wa4(i*2)*dr5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradb5.F... Compiling dradbg.F... Compiling sradbg.F... Compiling dradf2.F... dradf2.F:29:44: 28 | do i = 1, ((ido - 1)/2) | 2 29 | tr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf2.F:30:46: 28 | do i = 1, ((ido - 1)/2) | 2 29 | tr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 30 | ti2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradf2.F... Compiling dradf3.F... dradf3.F:32:44: 31 | do i = 1, ((ido - 1)/2) | 2 32 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:33:46: 31 | do i = 1, ((ido - 1)/2) | 2 32 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 33 | di2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:34:44: 31 | do i = 1, ((ido - 1)/2) | 2 ...... 34 | dr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:35:46: 31 | do i = 1, ((ido - 1)/2) | 2 ...... 35 | di3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradf3.F... Compiling dradf4.F... dradf4.F:36:44: 35 | do i = 1, ((ido - 1)/2) | 2 36 | cr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:37:46: 35 | do i = 1, ((ido - 1)/2) | 2 36 | cr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 37 | ci2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:38:44: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 38 | cr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:39:46: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 39 | ci3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:40:44: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 40 | cr4 = wa3(i*2-1)*cc(i*2,k,4) + wa3(i*2)*cc(1+i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:41:46: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 41 | ci4 = wa3(i*2-1)*cc(1+i*2,k,4) - wa3(i*2)*cc(i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradf4.F... Compiling dradf5.F... dradf5.F:41:44: 40 | do i = 1, ((ido - 1)/2) | 2 41 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:42:46: 40 | do i = 1, ((ido - 1)/2) | 2 41 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 42 | di2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:43:44: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 43 | dr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:44:46: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 44 | di3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:45:44: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 45 | dr4 = wa3(i*2-1)*cc(i*2,k,4) + wa3(i*2)*cc(1+i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:46:46: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 46 | di4 = wa3(i*2-1)*cc(1+i*2,k,4) - wa3(i*2)*cc(i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:47:44: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 47 | dr5 = wa4(i*2-1)*cc(i*2,k,5) + wa4(i*2)*cc(1+i*2,k,5) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:48:46: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 48 | di5 = wa4(i*2-1)*cc(1+i*2,k,5) - wa4(i*2)*cc(i*2,k,5) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradf5.F... Compiling dradfg.F... Compiling sradfg.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfft1.0/fftpack' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfft1.0/fftpack' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpfft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpfft.a dcfftb.o scfftb.o dcfftf.o scfftf.o dcffti.o scffti.o dcftb1.o scftb1.o dcftf1.o scftf1.o dcfti1.o scfti1.o dpssb.o spssb.o dpssb2.o spssb2.o dpssb3.o spssb3.o dpssb4.o spssb4.o dpssb5.o spssb5.o dpssf.o spssf.o dpssf2.o spssf2.o dpssf3.o spssf3.o dpssf4.o spssf4.o dpssf5.o spssf5.o drfftb.o srfftb.o drfftf.o srfftf.o drffti.o srffti.o drftb1.o srftb1.o drftf1.o srftf1.o drfti1.o srfti1.o dradb2.o sradb2.o dradb3.o sradb3.o dradb4.o sradb4.o dradb5.o sradb5.o dradbg.o sradbg.o dradf2.o sradf2.o dradf3.o sradf3.o dradf4.o sradf4.o dradf5.o sradf5.o dradfg.o sradfg.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpfft.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpfft.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpfft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfft1.0/fftpack' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfft1.0/fftpack' Making all in pfft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfft1.0/pfft' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfft1.0/pfft' Compiling blktrn.F... Compiling drain.F... Compiling fillup.F... Compiling mapfil.F... Compiling mapchk.F... Compiling prlst2.F... Compiling xstop.F... Compiling pairup.F... Compiling gexit.F... Compiling igdiff.F... Compiling lstcnt.F... Compiling lstind.F... Compiling pfft.F... Compiling pfft3d.F... Compiling prfft3.F... Compiling prfft.F... Compiling prffti.F... Compiling chk3d.F... Compiling mfftc1.F... Compiling mfftr1.F... Compiling mcfftr.F... Compiling mrfftr.F... Compiling pfft1i.F... Compiling pfft1.F... Compiling wrkspc2.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfft1.0/pfft' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfft1.0/pfft' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpfft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpfft.a blktrn.o drain.o fillup.o mapfil.o mapchk.o prlst2.o xstop.o pairup.o gexit.o igdiff.o lstcnt.o lstind.o pfft.o pfft3d.o prfft3.o prfft.o prffti.o chk3d.o mfftc1.o mfftr1.o mcfftr.o mrfftr.o pfft1i.o pfft1.o wrkspc2.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpfft.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpfft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfft1.0/pfft' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfft1.0/pfft' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfft1.0' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfft1.0' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfft1.0' Making all in pfftwrap make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfftwrap' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfftwrap' Compiling nwfft3d.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfftwrap' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfftwrap' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpfft.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpfft.a nwfft3d.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpfft.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libpfft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfftwrap' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfftwrap' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft' Making libraries in python make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/python' Compiling python_input.F... Compiling task_python.c... task_python.c: In function 'task_python_': task_python.c:43:4: warning: 'Py_SetProgramName' is deprecated [-Wdeprecated-declarations] 43 | Py_SetProgramName(nwprogram); | ^~~~~~~~~~~~~~~~~ In file included from /usr/include/python3.11/Python.h:94, from task_python.c:1: /usr/include/python3.11/pylifecycle.h:37:38: note: declared here 37 | Py_DEPRECATED(3.11) PyAPI_FUNC(void) Py_SetProgramName(const wchar_t *); | ^~~~~~~~~~~~~~~~~ Compiling nwchem_wrap.c... nwchem_wrap.c:1800:18: warning: 'error_out' defined but not used [-Wunused-function] 1800 | static PyObject* error_out(PyObject *m) { | ^~~~~~~~~ Compiling nw_inp_from_string.c... nw_inp_from_string.c: In function 'nw_inp_from_string': nw_inp_from_string.c:33:10: warning: unused variable 'fstring' [-Wunused-variable] 33 | char fstring[255]; | ^~~~~~~ make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/python' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpython.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpython.a python_input.o task_python.o nwchem_wrap.o nw_inp_from_string.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpython.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpython.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwpython.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/python' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/python' Making libraries in analyz make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/analyz' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/analyz' Compiling ana_angle.F... Compiling ana_atrad.F... Compiling ana_bond.F... Compiling ana_chgdst.F... Compiling ana_data.F... Compiling ana_define.F... ana_define.F:90:29: 89 | call ga_brdcst(mag_d06,ndef,ma_sizeof(mt_int,1,mt_byte),0) | 2 90 | call ga_brdcst(mag_d06,ldef,ndef*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ana_define.F:160:29: 89 | call ga_brdcst(mag_d06,ndef,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 160 | call ga_brdcst(mag_d06,ldef,ndef*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ana_diel.F... Compiling ana_esppt.F... Compiling ana_finish.F... Compiling ana_groups.F... Compiling ana_hbond.F... Compiling ana_index.F... Compiling ana_init.F... Compiling ana_inirms.F... ana_groups.F:432:72: 432 | xa(2)=xa(2)+x(ia,2) | ^ Warning: 'xa[1]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:18: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xa[1]' was declared here ana_groups.F:431:72: 431 | xa(1)=xa(1)+x(ia,1) | ^ Warning: 'xa[0]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:18: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xa[0]' was declared here ana_groups.F:433:72: 433 | xa(3)=xa(3)+x(ia,3) | ^ Warning: 'xa[2]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:18: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xa[2]' was declared here ana_groups.F:442:72: 442 | xb(1)=xb(1)+x(ia,1) | ^ Warning: 'xb[0]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:24: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xb[0]' was declared here ana_groups.F:444:72: 444 | xb(3)=xb(3)+x(ia,3) | ^ Warning: 'xb[2]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:24: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xb[2]' was declared here ana_groups.F:443:72: 443 | xb(2)=xb(2)+x(ia,2) | ^ Warning: 'xb[1]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:24: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xb[1]' was declared here Compiling ana_initx.F... Compiling ana_input.F... Compiling ana_pltgrd.F... ana_pltgrd.F:159:29: 157 | call ga_brdcst(mag_d01,x,3*nsa*ma_sizeof(mt_dbl,1,mt_byte),0) | 2 158 | call ga_brdcst(mag_d02,xmin,3*ma_sizeof(mt_dbl,1,mt_byte),0) 159 | call ga_brdcst(mag_d03,ngrd,3*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling ana_rama.F... Compiling ana_rdhdr.F... Compiling ana_rdf.F... Compiling ana_rdfram.F... ana_rdfram.F:194:29: 193 | call ga_brdcst(mag_d03,succes,ma_sizeof(mt_log,1,mt_byte),0) | 2 194 | call ga_brdcst(mag_d04,ix,msa*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ana_rdref.F... Compiling ana_rdtop.F... ana_rdtop.F:165:29: 163 | call ga_brdcst(mag_d02,ltop,ma_sizeof(mt_log,1,mt_byte),0) | 2 164 | if(ltop) then 165 | call ga_brdcst(mag_d01,qs,nsa*ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling ana_report.F... ana_report.F:135:58: 135 | + ndxj(j,3),jtxt(j),tim(j),100.0d0*tim(j)/(timf-timi) | ^ Warning: 'timf' may be used uninitialized [-Wmaybe-uninitialized] ana_report.F:71:40: 71 | real*8 ctime,ptime,dtime,timi,timf | ^ note: 'timf' was declared here Compiling ana_rmsdev.F... Compiling ana_rtdbin.F... Compiling ana_select.F... Compiling ana_sizref.F... Compiling ana_tag.F... ana_tag.F:124:29: 123 | call ga_brdcst(mag_d06,byte_mb(i_tag),48*nsa,0) | 2 124 | call ga_brdcst(mag_d06,dbl_mb(i_tag),16*nsa,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). Compiling ana_task.F... Compiling ana_torsion.F... ana_task.F:1004:72: 1004 | + nsa,msa,.true.,rms0,rms1,dbl_mb(i_wdat),mwm,nwm,mwa,nwa,.true.) | 1 Warning: More actual than formal arguments in procedure call at (1) ana_task.F:1234:72: 1234 | + nsa,msa,.true.,rms0,rms1,dbl_mb(i_wdat),mwm,nwm,mwa,nwa,.true.) | 1 Warning: More actual than formal arguments in procedure call at (1) ana_task.F:1303:72: 1303 | + nsa,msa,.true.,rms0,rms1,dbl_mb(i_wdat),mwm,nwm,mwa,nwa,.true.) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling ana_wtfram.F... Compiling ana_wthdr.F... Compiling ana_wrtpdb.F... Compiling ana_wrtxyz.F... Compiling ana_xaver.F... Compiling ana_covar.F... Compiling analyz.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/analyz' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/analyz' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libanalyze.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libanalyze.a ana_angle.o ana_atrad.o ana_bond.o ana_chgdst.o ana_data.o ana_define.o ana_diel.o ana_esppt.o ana_finish.o ana_groups.o ana_hbond.o ana_index.o ana_init.o ana_inirms.o ana_initx.o ana_input.o ana_pltgrd.o ana_rama.o ana_rdhdr.o ana_rdf.o ana_rdfram.o ana_rdref.o ana_rdtop.o ana_report.o ana_rmsdev.o ana_rtdbin.o ana_select.o ana_sizref.o ana_tag.o ana_task.o ana_torsion.o ana_wtfram.o ana_wthdr.o ana_wrtpdb.o ana_wrtxyz.o ana_xaver.o ana_covar.o analyz.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libanalyze.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libanalyze.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libanalyze.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/analyz' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/analyz' Making libraries in nwmd make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwmd' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwmd' Compiling nwmd.F... Compiling md_start.F... Compiling md_input.F... md_start.F:1986:7: 1717 | call md_abort('Unable to read restart file in md_rest ',me) | 2 ...... 1986 | + ' of number of processors',ga_nodeid()) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(24)/INTEGER(8)). md_start.F:1986:72: 1986 | + ' of number of processors',ga_nodeid()) | 1 Warning: More actual than formal arguments in procedure call at (1) md_start.F:954:52: 755 | if(.not.rtdb_get(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 954 | if(.not.rtdb_get(irtdb,'md:idscb',mt_int,nscb,idscb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) md_start.F:986:50: 755 | if(.not.rtdb_get(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 986 | if(.not.rtdb_get(irtdb,'md:facpmf',mt_dbl,1,facpmf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_start.F:1323:44: 1323 | if(nserie.gt.0) call md_rdrest(lfnrst,filrst) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_start.F:1330:17-30: 1330 | nbytes=loc(inp_ptr)-loc(ptol) | 2 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_start.F:1333:29: 1331 | call ga_brdcst(mrg_d36,ptol,nbytes,0) | 2 1332 | nbytes=7*ma_sizeof(mt_int,1,mt_byte) 1333 | call ga_brdcst(mrg_d37,npx,nbytes,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). md_input.F:1849:52: 1650 | if(.not.rtdb_put(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 1849 | if(.not.rtdb_put(irtdb,'md:idscb',mt_int,nscb,idscb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) md_input.F:1881:50: 1650 | if(.not.rtdb_put(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 1881 | if(.not.rtdb_put(irtdb,'md:facpmf',mt_dbl,1,facpmf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_input.F:1889:54: 1650 | if(.not.rtdb_put(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 1889 | if(.not.rtdb_put(irtdb,'md:itime',mt_int,mtimes,itime)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling md_main.F... Compiling md_finish.F... Compiling prp_init.F... md_main.F:1608:57: 1608 | if(frequency(mdstep,nfrest)) call md_wrtrst(lfnrst,rfile,.true.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:1310:28: 1310 | call md_wrtrst(lfnrst,rfile,.true.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:2076:27: 2076 | call ga_dgop(mrg_d45,dmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:854:27: 854 | call ga_dgop(mrg_d08,fnorm1,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:898:27: 898 | call ga_dgop(mrg_d09,ypa,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:899:27: 899 | call ga_dgop(mrg_d10,pnorm,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1002:27: 1002 | call ga_dgop(mrg_d11,ypb,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1070:27: 1070 | call ga_dgop(mrg_d12,dxmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1126:27: 1126 | call ga_dgop(mrg_d12,dxmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1160:27: 1160 | call ga_dgop(mrg_d13,fnorm2,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1203:28: 1203 | call md_wrtrst(lfnqrs,filqrs,.false.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:647:28: 647 | call md_wrtrst(lfnqrs,filqrs,.false.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:3071:39: 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 ...... 3071 | if(np.gt.1) call ga_dgop(mrg_d49,mm,msm,'+') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). md_main.F:2699:39: 2699 | if(np.gt.1) call ga_dgop(mrg_d06,pmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling prp_main.F... md_start.F:319:72: 319 | root=filnam(1:ibl)//gid | ^ Warning: 'ibl' may be used uninitialized [-Wmaybe-uninitialized] md_start.F:12:21: 12 | integer iun,ibl | ^ note: 'ibl' was declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwmd' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwmd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwmd.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwmd.a nwmd.o md_start.o md_input.o md_main.o md_finish.o prp_init.o prp_main.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwmd.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwmd.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwmd.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwmd' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwmd' Making libraries in cafe make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cafe' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cafe' Compiling cf_d.F... Compiling cf_fp.F... Compiling cf_f.F... Compiling cf_finish.F... Compiling cf_forces.F... Compiling cf_forcep.F... Compiling cf_hopping.F... Compiling cf_induce.F... Compiling cf_init.F... Compiling cf_list.F... cf_init.F:520:28: 518 | call ga_brdcst(mcf_60,ipmf,8*numpmf*lenint,0) | 2 519 | call ga_brdcst(mcf_61,jpmf,4*numpmf*npmfa*lenint,0) 520 | call ga_brdcst(mcf_62,rpmf,18*numpmf*lendbl,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_init.F:267:28: 267 | call ga_brdcst(mcf_55,ndrs,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 518 | call ga_brdcst(mcf_60,ipmf,8*numpmf*lenint,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_init.F:335:28: 335 | call ga_brdcst(mcf_75,nbias,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 518 | call ga_brdcst(mcf_60,ipmf,8*numpmf*lenint,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling cf_main.F... Compiling cf_pairs.F... Compiling cf_pbc.F... cf_init.F:2133:72: 2133 | rlam(1)=one-rlam(1) | ^ Warning: 'rlam' may be used uninitialized [-Wmaybe-uninitialized] cf_init.F:2109:28: 2109 | real*8 tlam(3),rlam(3),slam(3) | ^ note: 'rlam' declared here cf_init.F:2134:72: 2134 | rlam(2)=one-rlam(2) | ^ Warning: 'rlam' may be used uninitialized [-Wmaybe-uninitialized] cf_init.F:2109:28: 2109 | real*8 tlam(3),rlam(3),slam(3) | ^ note: 'rlam' declared here cf_init.F:2135:72: 2135 | rlam(3)=one-rlam(3) | ^ Warning: 'rlam' may be used uninitialized [-Wmaybe-uninitialized] cf_init.F:2109:28: 2109 | real*8 tlam(3),rlam(3),slam(3) | ^ note: 'rlam' declared here Compiling cf_rdgeom.F... cf_rdgeom.F:162:28: 131 | call ga_brdcst(mcf_01,idata,16*numbi,0) | 2 ...... 162 | call ga_brdcst(mcf_03,dbl_mb(i_mas),6*mat*numbd,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling cf_shake.F... Compiling cf_grid.F... Compiling cf_rdtop.F... cf_main.F:3457:29: 2990 | call ga_brdcst(mrg_d47,itarget,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 3457 | call ga_brdcst(mrg_d47,fact,3*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2066:58: 1714 | + ign,isgm,iml,idt,ich,chg, | 2 ...... 2066 | + nmul,mmult,imul(1,1),imul(1,2),imul(1,3),imul(1,4),dbl_mb(i_chg), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_rdtop.F:356:28: 321 | call ga_brdcst(mcf_01,idata,20*numbi,0) | 2 ...... 356 | call ga_brdcst(mcf_03,dbl_mb(i_mas),mset*mat*numbd,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_rdtop.F:472:28: 321 | call ga_brdcst(mcf_01,idata,20*numbi,0) | 2 ...... 472 | call ga_brdcst(mcf_69,iffld,numbi,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:2067:21: 1715 | + xpmf(1,1,i),ft,et,.false.,.false.,.false.,me.eq.0, | 2 ...... 2067 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). cf_main.F:2067:51: 1715 | + xpmf(1,1,i),ft,et,.false.,.false.,.false.,me.eq.0, | 2 ...... 2067 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). cf_main.F:2068:7: 1716 | + dbl_mb(i_sti),lseq) | 2 ...... 2068 | + int_mb(i_lseq)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cf_main.F:2075:7: 1754 | call cf_fsh(1,it,1,3,ip,rpmf(1,1,i),rv,3,4, | 2 ...... 2075 | + dbl_mb(i_rub(2)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2076:12: 1755 | + ign,isgm,iml,idt,ich,chg, | 2 ...... 2076 | + nmul,mmult,imul(1,1),imul(1,2),imul(1,3),imul(1,4),dbl_mb(i_chg), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:2085:7: 1796 | call cf_fsd(1,it,1,3,ip,rpmf(1,1,i),rv,4,4,ign,isgm,iml,idt, | 2 ...... 2085 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2085:21: 1797 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2085 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). cf_main.F:2085:51: 1797 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2085 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). cf_main.F:2093:7: 1802 | call cf_fso(1,it,1,3,ip,rpmf(1,1,i),rv,4,4,ign,isgm,iml,idt, | 2 ...... 2093 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2093:21: 1803 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2093 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). cf_main.F:2093:51: 1803 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2093 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). cf_main.F:1395:26: 1395 | call ga_dgop(mcf_44,fnorm,1,'+') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:1396:26: 1396 | call ga_dgop(mcf_45,fmax,1,'max') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:128:26: 128 | call ga_dgop(mcf_34,wbox,1,'+') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:1005:26: 1005 | call ga_dgop(mcf_40,ewk,1,'+') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling cf_uhop.F... Compiling pme_init.F... Compiling pme_fft.F... Compiling pme_grid.F... pme_grid.F:522:49: 361 | + jlsl+maxy-1,grid(minx,miny,k),mgrx) | 2 ...... 522 | call ga_get(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). pme_grid.F:488:49: 200 | + jlsl+maxy-1,grid(minx,miny,k),mgrx,one) | 2 ...... 488 | call ga_acc(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). pme_grid.F:488:57: 200 | + jlsl+maxy-1,grid(minx,miny,k),mgrx,one) | 2 ...... 488 | call ga_acc(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). pme_grid.F:329:7: 329 | + grid(1,1),mgrx) | 1 ...... 486 | call ga_put(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_f.fh:1984:72: 1984 | qsa2(i)=chg(isq2(i),1,lseq(isgm(i))) | ^ Warning: 'MEM[(integer(kind=8)[0:D.7849] *)_2236][_34]' may be used uninitialized [-Wmaybe-uninitialized] cf_f.fh:4662:9: 4662 | if(isrx.eq.999) then | ^ Warning: 'isrx' may be used uninitialized [-Wmaybe-uninitialized] cf_f.fh:4551:57: 4551 | integer i,j,ist,isa,jsa,isf,jsf,isad,istt,jstt,isrx | ^ note: 'isrx' was declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cafe' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cafe' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libcafe.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libcafe.a cf_d.o cf_fp.o cf_f.o cf_finish.o cf_forces.o cf_forcep.o cf_hopping.o cf_induce.o cf_init.o cf_list.o cf_main.o cf_pairs.o cf_pbc.o cf_rdgeom.o cf_shake.o cf_grid.o cf_rdtop.o cf_uhop.o pme_init.o pme_fft.o pme_grid.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libcafe.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libcafe.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libcafe.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cafe' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cafe' Making libraries in space make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/space' Compiling sp_init.F... Compiling sp_main.F... sp_init.F:4060:54: 4047 | call ga_put(ga_ip,ilp,ihp,jlp,jhp,ipl,mbox) | 2 ...... 4060 | call ga_put(ga_w,ilw,ilw+nwmn-1,jlw,jlw+3*mwa-1,xw,mwm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_init.F:4082:28: 4081 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 4082 | call ga_brdcst(msp_13,rtemp,12*ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_init.F:4109:56: 4097 | call ga_get(ga_ip,ilp,ihp,jlp,jhp,ipl,mbox) | 2 ...... 4109 | call ga_get(ga_w,ilw,ilw+nwmloc-1,jlw,jlw+3*mwa-1,xw,mwm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_init.F:1199:28: 1199 | call ga_brdcst(msp_28,ndums,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 4081 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:3032:28: 3032 | call ga_brdcst(msp_10,npp,nbytes,0) | 1 ...... 4081 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:2091:26: 2091 | call ga_igop(msp_29,nrempr,1,'max') | 1 ...... 2943 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:1714:38: 1714 | if(np.gt.1) call ga_igop(msp_20,mbbl,1,'max') | 1 ...... 2943 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:1871:38: 1871 | if(np.gt.1) call ga_igop(msp_20,mbbl,1,'max') | 1 ...... 2943 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:455:38: 455 | if(np.gt.1) call ga_igop(msp_07,mbox,1,'max') | 1 ...... 2943 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:126:28: 126 | call ga_brdcst(msp_02,nsm,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 4081 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:2240:35: 2221 | call ga_acc(ga_w,il,ih,jl+6*mwa+3,jl+9*mwa+2,fw,mwm,one) | 2 ...... 2240 | call ga_acc(ga_iwz,il,ih,1,1,iwz,mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_init.F:2240:43: 2221 | call ga_acc(ga_w,il,ih,jl+6*mwa+3,jl+9*mwa+2,fw,mwm,one) | 2 ...... 2240 | call ga_acc(ga_iwz,il,ih,1,1,iwz,mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:3870:15: 3726 | call ga_brdcst(msp_16,nen(1,1),np*intsiz,0) | 2 ...... 3870 | + (msp_19,boxsiz,ma_sizeof(mt_dbl,3*maxbox,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_main.F:3397:7: 3391 | + fw(indexw,1,1,1),mwm,one,handle_fw) | 2 ...... 3397 | + iwz(indexw),mwm,1,handle_iw) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:3397:23: 3391 | + fw(indexw,1,1,1),mwm,one,handle_fw) | 2 ...... 3397 | + iwz(indexw),mwm,1,handle_iw) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:3254:51: 3249 | + fw(nwmloc+1,1,1,1),mwm,one) | 2 ...... 3254 | call ga_acc(ga_iwz,il+jwfr-1,il+jwto-1,jl,jl,iwz(nwmloc+1),mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:3254:69: 3249 | + fw(nwmloc+1,1,1,1),mwm,one) | 2 ...... 3254 | call ga_acc(ga_iwz,il+jwfr-1,il+jwto-1,jl,jl,iwz(nwmloc+1),mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:2895:7: 2880 | + isga(ndxda+1),msa) | 2 ...... 2895 | + xs(ndxda+1,1),msa) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_main.F:2187:7: 2180 | + iwl(indexw,1),mwm,handle_iw) | 2 ...... 2187 | + xw(indexw,1,1),mwm,handle_w) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_main.F:706:43: 694 | call ga_put(ga_ip,il,ih,jl,jh,ipl,mbox) | 2 ...... 706 | call ga_put(ga_w,il,ih,jl,jl+3*mwa-1,xw,mwm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_main.F:1986:26: 1986 | call ga_igop(msp_23,nfold,1,'+') | 1 ...... 3585 | call ga_igop(msp_14,nlst,2*npp,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_main.F:2610:72: 2610 | lbbl(ibbl,10)=ipl(indx,5) | ^ Warning: 'indx' may be used uninitialized [-Wmaybe-uninitialized] sp_main.F:2560:22: 2560 | integer i,j,indx,jndx,il,ih,jl,jh,indexw,indexs,nndexw,nndexs | ^ note: 'indx' was declared here sp_main.F:2680:72: 2680 | lbbl(ibbl,14)=jpl(jndx,5) | ^ Warning: 'jndx' may be used uninitialized [-Wmaybe-uninitialized] sp_main.F:2560:27: 2560 | integer i,j,indx,jndx,il,ih,jl,jh,indexw,indexs,nndexw,nndexs | ^ note: 'jndx' was declared here make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/space' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libspace.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libspace.a sp_init.o sp_main.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libspace.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libspace.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libspace.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/space' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/space' Making libraries in drdy make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/drdy' Compiling atsym.F... Compiling drdy.F... Compiling drdy_input.F... drdy_input.F:113:55: 110 | if (.not. rtdb_put(rtdb,'drdy:autosym',mt_log,1,oautosym)) | 2 ...... 113 | if (.not. rtdb_put(rtdb,'drdy:threquiv',mt_dbl,1,threquiv)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling Input_for_drdy.F... Compiling drdy_synch.F... Compiling read_drdy_rtdb.F... Compiling rgener.F... Compiling ratoms.F... Compiling rstat.F... Compiling rpath.F... Compiling rgeom.F... Compiling rgsad.F... Compiling rphwrt.F... Compiling drdy_sort.F... Compiling react.F... Compiling potset_nwchem.F... Compiling trans.F... Compiling tranf.F... Compiling drdy_center.F... Compiling rotx.F... Compiling moiten.F... Compiling pot2.F... Compiling rotmat.F... Compiling rotg.F... Compiling rotf.F... Compiling restor.F... Compiling drdy_nwc_get.F... drdy_nwc_get.F:24:55: 16 | if (.not.rtdb_get(rtdb,'task:status', mt_log, 1, task_status)) | 2 ...... 24 | if (.not.rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling react2.F... Compiling saddle.F... Compiling setpth.F... setpth.F:33:10: 33 | if (u0(ilrg,1)*dir .lt. 0.0d00) then | ^ Warning: 'ilrg' may be used uninitialized [-Wmaybe-uninitialized] setpth.F:12:25: 12 | Integer i,ierr,ilrg | ^ note: 'ilrg' was declared here Compiling diagf.F... Compiling pmlqsp.F... Compiling mxlneq.F... Compiling pmclqa.F... Compiling path.F... Compiling path2.F... Compiling pot1.F... Compiling euler.F... Compiling pmlqa.F... pmlqa.F:89:72: 89 | t = t - (dels-s)*delt/(slast-s) | ^ Warning: 'slast' may be used uninitialized [-Wmaybe-uninitialized] pmlqa.F:25:49: 25 | Double Precision arg,delt,ft,ftlast,s,slast,sum,t,ts,xnorm | ^ note: 'slast' was declared here Compiling dsdt.F... Compiling rsp.F... rsp.F:311:16: 311 | IF (E2(M) .LE. C) GO TO 120 | ^ Warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] rsp.F:308:10: 308 | C = B * B | ^ note: 'c' was declared here Compiling pmcube.F... Compiling fdiag.F... Compiling potsp.F... Compiling projct.F... Compiling pythag.F... Compiling getstr.F... Compiling io.F... Compiling sumout.F... Compiling wfiles.F... Compiling nwc_gen.F... nwc_gen.F:78:59: 74 | if (.not. rtdb_get(my_rtdb,'drdy:autosym',mt_log,1,oautosym)) | 2 ...... 78 | if (.not.rtdb_get(my_rtdb,'drdy:threquiv',mt_dbl,1,threquiv)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). nwc_gen.F:89:24: 83 | call ycopy(n3,x,1,dx,1) ! temporary use of dx | 2 ...... 89 | call ycopy(3*n3,0.d0,0,velocities,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/drdy' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdrdy.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdrdy.a atsym.o drdy.o drdy_input.o Input_for_drdy.o drdy_synch.o read_drdy_rtdb.o rgener.o ratoms.o rstat.o rpath.o rgeom.o rgsad.o rphwrt.o drdy_sort.o react.o potset_nwchem.o trans.o tranf.o drdy_center.o rotx.o moiten.o pot2.o rotmat.o rotg.o rotf.o restor.o drdy_nwc_get.o react2.o saddle.o setpth.o diagf.o pmlqsp.o mxlneq.o pmclqa.o path.o path2.o pot1.o euler.o pmlqa.o dsdt.o rsp.o pmcube.o fdiag.o potsp.o projct.o pythag.o getstr.o io.o sumout.o wfiles.o nwc_gen.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdrdy.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdrdy.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdrdy.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/drdy' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/drdy' Making libraries in vscf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/vscf' Compiling vscf_input.F... vscf_input.F:75:55: 43 | if (.not. rtdb_put(rtdb,'vscf:ngrid',mt_int,1,ngrid)) | 2 ...... 75 | if (.not. rtdb_put(rtdb,'vscf:vcfct',mt_dbl,1,vcfct)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling vscf.F... vscf.F:600:55: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 600 | if (.not.rtdb_get(rtdb,'prop:dipval',mt_dbl,3,dmtemp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vscf.F:697:60: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 697 | if (.not.rtdb_get(rtdb,'prop:dipval',mt_dbl,3,dmtemp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vscf.F:793:30: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 793 | & mt_dbl,3,dmtemp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vscf.F:2670:54: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 2670 | if (.not. rtdb_get(rtdb,'vscf:restart',mt_log,1,restart)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). vscf.F:2165:29: 2165 | CALL ga_brdcst(msg_ns3,nstart,7*ma_sizeof(mt_int,1,mt_byte), | 1 ...... 2647 | CALL ga_brdcst(msg_diagv,diag_exists, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). vscf.F:186:56: 186 | if (.not. rtdb_put(rtdb,'vscf:restart',mt_log,1,restart)) | 1 ...... 594 | if (.not.rtdb_put(rtdb,'prop:dipole',mt_int,1,0)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). vscf.F:1742:72: 1742 | emp1=v(istate) | ^ Warning: 'istate' may be used uninitialized [-Wmaybe-uninitialized] vscf.F:1707:32: 1707 | if (isum.eq.NM) istate=j | ^ note: 'istate' was declared here make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/vscf' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libvscf.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libvscf.a vscf_input.o vscf.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libvscf.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libvscf.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libvscf.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/vscf' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/vscf' Making libraries in qmmm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qmmm' Compiling qmmm.F... Compiling task_qmmm_gradient.F... task_qmmm_gradient.F:283:50: 126 | $ numerical)) numerical = .false. | 2 ...... 283 | if(.not.rtdb_get(irtdb,"neb:ibead",mt_int,1,ibead)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_qmmm_gradient.F:817:25: 198 | if (.not. rtdb_put(rtdb,'qmmm:bq_nuc_energy',mt_dbl,1,ebq)) | 2 ...... 817 | > mt_int,nact,int_mb(i_cons))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). task_qmmm_gradient.F:389:20: 189 | call dfill(3*nfg,0,dbl_mb(i_g),1) | 2 ...... 389 | call dfill(na,0.0d0,dbl_mb(i_q),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling mm_interface.F... Compiling qmmm_link.F... Compiling qmmm_data.F... qmmm_data.F:111:72: 111 | + call errquit(pname//'failed to get bqzone from mm',0) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) qmmm_data.F:126:43: 33 | if(.not.rtdb_get(irtdb,'charge',mt_dbl,1,qcharge)) then | 2 ...... 126 | if (.not.rtdb_get(irtdb,tag,mt_int,1,bq_exclude)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). qmmm_data.F:127:45: 95 | if (.not.rtdb_put(irtdb,"qmmm:uqmatm",mt_dbl,1,eatoms)) | 2 ...... 127 | if (.not.rtdb_put(irtdb,tag,mt_int,1,bq_exclude)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling qmmm_lbfgsb.F... qmmm_lbfgsb.F:112:56: 103 | if (.not. rtdb_get(irtdb,'driver:gmax_tol',mt_dbl,1,tol(1))) | 2 ...... 112 | if (.not. rtdb_get(irtdb,'driver:nptopt',mt_int,1,maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). qmmm_lbfgsb.F:322:72: 322 | + call errquit( pname//'Failed to deallocate memory') | 1 Warning: Missing actual argument for argument '_formal_6' at (1) Compiling qmmm_utils.F... Compiling task_qmmm_energy.F... Compiling qmmm_main.F... qmmm_main.F:72:54: 42 | if (.not. rtdb_get(inrtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 72 | if (.not.rtdb_get(inrtdb,'qmmm:uqmatm',mt_dbl,1,eatoms)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). task_qmmm_energy.F:1051:32: 1024 | if (.not. rtdb_get(rtdb, 'qmmm:active_region', mt_log,1,oregion)) | 2 ...... 1051 | > mt_int,1,nregion)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_qmmm_energy.F:604:54: 604 | if(.not.rtdb_put(rtdb,'qmmm:readesp',mt_log,1,.true.)) | 1 ...... 1099 | if (.not. rtdb_put(rtdb,'qmmm:energy',mt_dbl,1,energy/cau2kj)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling qmmm_check_forces.F... qmmm_check_forces.F:100:56: 47 | > mt_int,1,nregion)) | 2 ...... 100 | if (.not. rtdb_get(rtdb,'md:energy', mt_dbl, 1, e0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). task_qmmm_energy.F:1671:72: 1671 | if(nregion.eq.0) return | ^ Warning: '__result_task_qmmm_energy_pes' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_energy.F:1524:6: 1524 | function task_qmmm_energy_pes(irtdb) | ^ note: '__result_task_qmmm_energy_pes' was declared here Compiling qmmm_bq.F... qmmm_bq.F:66:34: 42 | > mt_dbl,3*n,c)) | 2 ...... 66 | > mt_int,1,0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). task_qmmm_energy.F:1420:72: 1420 | if(nregion.eq.0) return | ^ Warning: '__result_task_qmmm_energy_pes' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_energy.F:1273:6: 1273 | function task_qmmm_energy_pes0(irtdb) | ^ note: '__result_task_qmmm_energy_pes' was declared here Compiling qmmm_esp.F... Compiling qmmm_cons.F... qmmm_esp.F:182:36: 90 | if(.not.rtdb_put(rtdb,'esp:newgrd',mt_int,1,1)) | 2 ...... 182 | > mt_dbl,nqm,dbl_mb(i_q_qm))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). qmmm_esp.F:605:34: 69 | if(.not.rtdb_get(rtdb,'qmmm:readesp',mt_log,1,readesp)) | 2 ...... 605 | > mt_dbl,n,dbl_mb(i_epot))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). qmmm_esp.F:316:19: 316 | if(ofile.and.ga_nodeid().eq.0) then | ^ Warning: 'ofile' may be used uninitialized [-Wmaybe-uninitialized] qmmm_esp.F:272:19: 272 | logical ofile | ^ note: 'ofile' was declared here Compiling qmmm_geom.F... qmmm_esp.F:436:19: 436 | if(ofile.and.ga_nodeid().eq.0) then | ^ Warning: 'ofile' may be used uninitialized [-Wmaybe-uninitialized] qmmm_esp.F:388:19: 388 | logical ofile | ^ note: 'ofile' was declared here qmmm_cons.F:230:28: 89 | if (.not. rtdb_get(irtdb,'qmmm:fixsolvent',mt_log,1,fixw)) | 2 ...... 230 | + mt_int,nr,int_mb(i_ires))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). qmmm_cons.F:385:72: 385 | log_mb(i_maps+i-1) = flag | ^ Warning: 'flag' may be used uninitialized [-Wmaybe-uninitialized] qmmm_cons.F:338:18: 338 | logical flag | ^ note: 'flag' was declared here Compiling qmmm_bq_data.F... Compiling task_qmmm_optimize.F... qmmm_geom.F:703:28: 703 | > 0, | 1 Warning: Rank mismatch in argument 'aiw' at (1) (rank-1 and scalar) qmmm_geom.F:82:34: 82 | > mt_int,1,nregion)) | 1 ...... 695 | > mt_log,1,update)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). qmmm_geom.F:268:39: 268 | call ga_brdcst(msg_qmmm_misc, ofile, | 1 ...... 483 | > byte_mb(i_t), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/CHARACTER(*)). qmmm_geom.F:1052:27: 243 | if(.not.rtdb_put(irtdb,'neb:custom_path',mt_log,1,custom_path)) | 2 ...... 1052 | + 3*n,dbl_mb(i_gt))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). qmmm_geom.F:1085:72: 1085 | + call errquit('qmmm: Failed to print geometry',0) | 1 Warning: Missing actual argument for argument '_formal_4' at (1) qmmm_bq_data.F:66:26: 66 | call errquit(pname,"unknown option for charge expand",0,0) | 1 ...... 198 | + call errquit(pname//'Failed bq_pset',0,CALC_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(32)/INTEGER(8)). qmmm_bq_data.F:66:72: 66 | call errquit(pname,"unknown option for charge expand",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling task_qmmm_dynamics.F... task_qmmm_optimize.F:173:32: 166 | > mt_dbl,1,etol)) | 2 ...... 173 | > mt_int,1,nregion)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). task_qmmm_optimize.F:687:28: 166 | > mt_dbl,1,etol)) | 2 ...... 687 | + 2,rb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_qmmm_optimize.F:608:58: 608 | if (.not. rtdb_put(rtdb,'driver:nptopt',mt_int,1,maxiter)) | 1 ...... 767 | + 1,r)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). mm_interface.F:2716:35: 2716 | call ga_dgop(msg_qmmm_forcew,grms,1,'+') | 1 ...... 3361 | call ga_dgop(msg_qmmm_force,g,3*nt,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mm_interface.F:2717:32: 2717 | call ga_dgop(msg_qmmm_nqm,ntot,1,'+') | 1 ...... 3361 | call ga_dgop(msg_qmmm_force,g,3*nt,'+') | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). mm_interface.F:3306:34: 3306 | call ga_dgop(msg_qmmm_force,grms,1,'+') | 1 ...... 3361 | call ga_dgop(msg_qmmm_force,g,3*nt,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mm_interface.F:3967:11: 441 | call ga_brdcst(msg_qmmm_misc,mm_read_frame, | 2 ...... 3967 | > ns, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_qmmm_dynamics.F:110:28: 102 | > mt_int,1,nregion)) | 2 ...... 110 | $ 1, oesp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). task_qmmm_dynamics.F:44:57: 44 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 1 ...... 265 | + 1,r)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_qmmm_dynamics.F:152:21: 152 | logical status | ^ Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] Compiling qmmm_output.F... task_qmmm_optimize.F:654:21: 654 | logical status | ^ Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_optimize.F:422:72: 422 | return | ^ Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_optimize.F:365:21: 365 | logical status | ^ note: 'status' was declared here qmmm_output.F:70:43: 70 | if (.not.rtdb_get(irtdb,tag,mt_int,1,bq_exclude)) then | 1 ...... 147 | if (.not.rtdb_get(irtdb,'qmmm:uqmatm',mt_dbl,1,eatoms)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling mm_utils.F... Compiling qmmm_input.F... qmmm_input.F:550:44: 550 | if (.not.rtdb_put(rtdb,tag,mt_int,1,itok)) | 1 ...... 808 | if(.not.rtdb_put(rtdb,tag,mt_log,1,.true.)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). qmmm_input.F:627:28: 627 | > call errquit(pname," spring",0,INPUT_ERR) | 1 ...... 831 | 998 call errquit(pname//'no token found '//token,0, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(7)/INTEGER(8)). qmmm_input.F:627:72: 627 | > call errquit(pname," spring",0,INPUT_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling qmmm_pes.F... qmmm_pes.F:112:28: 104 | + 1,ncycles)) | 2 ...... 112 | + 2,rb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). qmmm_pes.F:24:21: 24 | logical status | ^ Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] Compiling qmmm_property.F... mm_interface.F:1685:11: 1685 | if(int_mb(psl+i-1).eq.ai(j)) then | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] mm_interface.F:1669:17: 1669 | integer i,j | ^ note: 'j' was declared here mm_interface.F:1726:11: 1726 | if(int_mb(psl+i-1).eq.ai(j)) then | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] mm_interface.F:1710:17: 1710 | integer i,j | ^ note: 'j' was declared here Compiling task_qmmm_fep.F... Compiling task_qmmm_abc.F... task_qmmm_fep.F:1000:58: 997 | if (.not.rtdb_get(rtdb,"qmmm:lambda",mt_dbl,1,lambda)) | 2 ...... 1000 | if (.not.rtdb_get(rtdb,"qmmm:trajectory_n",mt_int,3,trn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). task_qmmm_fep.F:326:56: 326 | if (.not.rtdb_get(rtdb,'qmmm:fep_lambda',mt_dbl,2,lambda)) then | 1 ...... 997 | if (.not.rtdb_get(rtdb,"qmmm:lambda",mt_dbl,1,lambda)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_qmmm_fep.F:60:32: 60 | > mt_int,1,nregion)) | 1 ...... 1039 | if(.not.rtdb_put(rtdb,'qmmm:readesp',mt_log,1,.true.)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_qmmm_fep.F:147:56: 147 | if (.not.rtdb_get(rtdb,'qmmm:fep_lambda',mt_dbl,2,lambda)) then | 1 ...... 997 | if (.not.rtdb_get(rtdb,"qmmm:lambda",mt_dbl,1,lambda)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_qmmm_abc.F:355:34: 250 | > mt_dbl,1,eref)) then | 2 ...... 355 | $ mt_log,1,oesp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_qmmm_abc.F:369:62: 268 | > mt_dbl,1,eref)) | 2 ...... 369 | if (.not. rtdb_put(rtdb, 'qmmm:active_region', mt_log,1,.true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_qmmm_abc.F:119:11: 119 | > fn, | 1 ...... 295 | call ga_brdcst(msg_qmmm_misc,ostatus, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_qmmm_fep.F:272:21: 272 | logical ostatus | ^ Warning: 'ostatus' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_fep.F:22:21: 22 | logical ostatus | ^ Warning: 'ostatus' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_abc.F:457:21: 457 | logical ostatus | ^ Warning: 'ostatus' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_fep.F:828:72: 828 | tsum = taver*ns | ^ Warning: 'taver' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_fep.F:791:28: 791 | double precision taver | ^ note: 'taver' was declared here task_qmmm_fep.F:903:72: 903 | de(n) = -kb_au*tav*log(fsum(n)/(in+nf0)) | ^ Warning: 'nf0' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_fep.F:786:23: 786 | integer in,nf,nf0 | ^ note: 'nf0' was declared here make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qmmm' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libqmmm.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libqmmm.a qmmm.o task_qmmm_gradient.o mm_interface.o qmmm_link.o qmmm_data.o qmmm_lbfgsb.o qmmm_utils.o task_qmmm_energy.o qmmm_main.o qmmm_check_forces.o qmmm_bq.o qmmm_esp.o qmmm_cons.o qmmm_geom.o qmmm_bq_data.o task_qmmm_optimize.o task_qmmm_dynamics.o qmmm_output.o mm_utils.o qmmm_input.o qmmm_pes.o qmmm_property.o task_qmmm_fep.o task_qmmm_abc.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libqmmm.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libqmmm.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libqmmm.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qmmm' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qmmm' Making libraries in qmd make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qmd' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qmd' Compiling qmd_init.F... qmd_init.F:86:55: 78 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 86 | if (.not.rtdb_get(rtdb,'qmd:nstep_nucl',mt_int,1,nstep_nucl)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling qmd_driver.F... qmd_driver.F:135:55: 132 | if(.not.rtdb_get(rtdb,'qmd:cavity',mt_log,1,do_cavity)) | 2 ...... 135 | if(.not.rtdb_get(rtdb,'qmd:cavity_axis',mt_dbl,3,cavity_axis)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling qmd_main.F... qmd_main.F:109:52: 107 | if(.not.rtdb_get(irtdb,'task:gradient',mt_dbl,3*msa,buf)) | 2 108 | + call errquit('qmd_f: rtdb_get gradient failed',0, RTDB_ERR) 109 | if(.not.rtdb_get(irtdb,'task:energy',mt_dbl,1,energy)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling qmd_input.F... qmd_input.F:67:55: 62 | if (.not.rtdb_put(rtdb,'qmd:dt_nucl',mt_dbl,1,dt_nucl)) | 2 ...... 67 | if (.not.rtdb_put(rtdb,'qmd:nstep_nucl',mt_int,1,nstep_nucl)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). qmd_input.F:406:52: 400 | if (.not.rtdb_get(rtdb,'qmd:nstep_nucl',mt_int,1,nstep_nucl)) then | 2 ...... 406 | if (.not.rtdb_get(rtdb,'qmd:dt_nucl',mt_dbl,1,dt_nucl)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmd_start.F... Compiling task_qmd.F... Compiling qmd_nucl_dt2.F... Compiling qmd_nucl_dt.F... Compiling qmd_gradient.F... qmd_gradient.F:43:51: 41 | if(.not.rtdb_get(rtdb,'task:gradient',mt_dbl,3*nat,g)) | 2 42 | & call errquit(pname//'rtdb_get gradient',0,RTDB_ERR) 43 | if(.not.rtdb_get(rtdb,'task:energy',mt_dbl,1,energy)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling qmd_geom_store.F... Compiling qmd_thermostat.F... Compiling qmd_kinetic.F... Compiling qmd_write_trj.F... Compiling qmd_write_rst.F... Compiling qmd_ran1.F... Compiling qmd_gasdev.F... Compiling qmd_randomize.F... Compiling qmd_nucl_pos.F... Compiling qmd_nucl_vel.F... Compiling qmd_read_rst.F... Compiling qmd_gamdev.F... Compiling qmd_sumno.F... Compiling qmd_fix_momentum.F... Compiling qmd_freeze_inactive.F... Compiling qmd_cavity.F... Compiling qmd_energy.F... Compiling qmd_coup.F... Compiling qmd_move_civecs.F... Compiling qmd_elec_prop.F... Compiling qmd_tdks_enmo.F... qmd_tdks_enmo.F:302:49: 294 | if(.not. rtdb_put(rtdb,'dft:swap alpha',mt_int,2,swap)) | 2 ...... 302 | if(.not.rtdb_put(rtdb,'dft:noscf',mt_log,1,.true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). qmd_tdks_enmo.F:43:51: 43 | if(.not.rtdb_get(rtdb,'task:energy',mt_dbl,1,en(1))) | 1 ...... 129 | if (.not.rtdb_get(rtdb,'dft:noc',mt_int,2,nocc_verify)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmd_tddft_enmo.F... qmd_tddft_enmo.F:70:50: 70 | if(.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,en(1))) | 1 ...... 147 | if (.not.rtdb_get(rtdb,'dft:noc',mt_int,2,nocc_verify)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmd_namd_init.F... qmd_namd_init.F:72:49: 68 | if (.not.rtdb_get(rtdb,'qmd:dt_elec',mt_dbl,1,dt_elec)) | 2 ...... 72 | if (.not.rtdb_get(rtdb,'qmd:deco',mt_log,1,deco)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling qmd_namd_input.F... qmd_namd_input.F:46:52: 41 | if (.not.rtdb_put(rtdb,'qmd:dt_elec',mt_dbl,1,dt_elec)) | 2 ...... 46 | if (.not.rtdb_put(rtdb,'qmd:nstates',mt_int,1,nstates)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling qmd_set_den.F... Compiling qmd_coords_vels.F... Compiling qmd_civecs_read.F... Compiling qmd_property.F... Compiling qmd_ext.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qmd' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qmd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libqmd.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libqmd.a qmd_init.o qmd_driver.o qmd_main.o qmd_input.o qmd_start.o task_qmd.o qmd_nucl_dt2.o qmd_nucl_dt.o qmd_gradient.o qmd_geom_store.o qmd_thermostat.o qmd_kinetic.o qmd_write_trj.o qmd_write_rst.o qmd_ran1.o qmd_gasdev.o qmd_randomize.o qmd_nucl_pos.o qmd_nucl_vel.o qmd_read_rst.o qmd_gamdev.o qmd_sumno.o qmd_fix_momentum.o qmd_freeze_inactive.o qmd_cavity.o qmd_energy.o qmd_coup.o qmd_move_civecs.o qmd_elec_prop.o qmd_tdks_enmo.o qmd_tddft_enmo.o qmd_namd_init.o qmd_namd_input.o qmd_set_den.o qmd_coords_vels.o qmd_civecs_read.o qmd_property.o qmd_ext.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libqmd.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libqmd.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libqmd.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qmd' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qmd' Making libraries in etrans make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/etrans' Compiling et_calc.F... et_calc.F:632:53: 620 | if (.not. rtdb_get(rtdb, 'et:tol2e', MT_DBL, 1, tol2e)) then | 2 ...... 632 | if (.not.rtdb_get(rtdb,'et:method_2e',MT_INT,1,method_2e)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling et_calc_fmo.F... Compiling et_fmo_util.F... Compiling et_input.F... et_input.F:51:60: 41 | if (.not. rtdb_put(rtdb,'et:tol2e', MT_DBL, 1, tol2e)) | 2 ...... 51 | if (.not. rtdb_put(rtdb,'et:method_2e', MT_INT, 1, method_2e)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling et_det.F... Compiling et_2e.F... Compiling et_movecs_read.F... et_movecs_read.F:106:43: 102 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, mitob1, 0) ! Propagate status | 2 ...... 106 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, mdtob_nbf, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling et_vectors_inp.F... Compiling et_fock.F... Compiling et_dens_prod.F... Compiling et_omega2_mult.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/etrans' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libetrans.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libetrans.a et_calc.o et_calc_fmo.o et_fmo_util.o et_input.o et_det.o et_2e.o et_movecs_read.o et_vectors_inp.o et_fock.o et_dens_prod.o et_omega2_mult.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libetrans.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libetrans.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libetrans.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/etrans' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/etrans' Making libraries in tce make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce' Compiling tce_input.F... tce_input.F:149:54: 149 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 1 ...... 1807 | if (.not.rtdb_put(rtdb,'tce:lineresp',mt_log,1,lineresp)) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tce_init.F... tce_init.F:142:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 142 | if (.not.rtdb_get(rtdb,'dft:ipol',mt_int,1,ipol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tce_init.F:284:55: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 284 | if (.not.rtdb_put(rtdb,'tce:zlshift2',mt_dbl,2,zlshift2)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:290:55: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 290 | if (.not.rtdb_put(rtdb,'tce:zlshift3',mt_dbl,2,zlshift3)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:315:54: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 315 | if (.not.rtdb_put(rtdb,'tce:maxiter',mt_int,1,maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). tce_init.F:500:59: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 500 | if (.not.rtdb_put(rtdb,'tce:afreq',mt_dbl,anumfreq,afreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:512:59: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 512 | if (.not.rtdb_put(rtdb,'tce:bfreq',mt_dbl,bnumfreq,bfreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:527:53: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 527 | if (.not.rtdb_get(rtdb,'tce:respaxis',mt_log,3,respaxis)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:583:33: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 583 | & mt_log,4,restart_ignore_failure)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:593:15: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 593 | 1 save_integrals)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:604:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 604 | if (.not.rtdb_get(rtdb,'tce:save_t',mt_log,4,save_t)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:611:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 611 | if (.not.rtdb_get(rtdb,'tce:save_l',mt_log,4,save_l)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:618:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 618 | if (.not.rtdb_get(rtdb,'tce:save_tr',mt_log,8,save_tr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:626:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 626 | if (.not.rtdb_get(rtdb,'tce:save_lr',mt_log,8,save_lr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:633:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 633 | if (.not.rtdb_get(rtdb,'tce:save_x',mt_log,4,save_x)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:641:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 641 | if (.not.rtdb_get(rtdb,'tce:save_y',mt_log,4,save_y)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:677:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 677 | if (.not.rtdb_get(rtdb,'tce:read_t',mt_log,4,read_t)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:684:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 684 | if (.not.rtdb_get(rtdb,'tce:read_l',mt_log,4,read_l)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:691:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 691 | if (.not.rtdb_get(rtdb,'tce:read_tr',mt_log,8,read_tr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:699:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 699 | if (.not.rtdb_get(rtdb,'tce:read_lr',mt_log,8,read_lr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:707:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 707 | if (.not.rtdb_get(rtdb,'tce:read_x',mt_log,4,read_x)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:715:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 715 | if (.not.rtdb_get(rtdb,'tce:read_y',mt_log,4,read_y)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:890:57: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 890 | if (.not.rtdb_put(rtdb,'tce:qrot',mt_dbl,anumrot,arot)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tce_energy.F... Compiling tce_energy_fragment.F... tce_init.F:1195:10: 1195 | if (rohf) nmo(2) = nmo(1) | ^ Warning: 'rohf' may be used uninitialized [-Wmaybe-uninitialized] tce_init.F:48:18: 48 | logical rohf | ^ note: 'rohf' was declared here tce_energy_fragment.F:70:56: 60 | if (.not.rtdb_get(rtdb,'fragment:dipole',mt_log,1,dipole)) | 2 ...... 70 | if (.not.rtdb_get(rtdb,'fragment:radius',mt_dbl,1,radius)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce' Making all in include make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/include' tce_energy.F:605:15: 594 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 605 | 1 read_integrals)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tce_energy.F:612:17: 596 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 2 ...... 612 | 1 read_integrals)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/include' Compiling tce_tile.F... tce_tile.F:207:50: 175 | if (rtdb_get(rtdb,'tce:tilesize',mt_int,1,jsize)) then | 2 ...... 207 | if (.not.rtdb_get(rtdb,'tce:vcut',mt_dbl,1,vcut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tce_ao1e.F... Compiling tce_mo1e.F... Compiling tce_ao2e.F... Compiling tce_filename.F... tce_tile.F:357:72: 357 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_tile.F:68:23: 68 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here Compiling createfile.F... Compiling deletefile.F... deletefile.F:131:12: 131 | if (j.lt.nfiles) then | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] deletefile.F:22:17: 22 | integer i,j | ^ note: 'j' was declared here Compiling reconcilefile.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/include' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/include' Making all in diis make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/diis' Compiling dratoga.F... Compiling gatodra.F... Compiling gatoeaf.F... Compiling get_block.F... get_block.F:21:17: 21 | integer i,j | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] Compiling put_block.F... put_block.F:64:72: 64 | filename = filenames(j) | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] put_block.F:21:17: 21 | integer i,j | ^ note: 'j' was declared here Compiling add_block.F... add_block.F:29:17: 29 | integer i,j | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] Compiling tce_tidy.F... Compiling sf_test.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/diis' Compiling hbar.F... Compiling tce_mo2e.F... Compiling tce_mo1e_offset.F... Compiling tce_mo2e_offset.F... Compiling tce_e_offset.F... Compiling tce_guess_t1.F... Compiling tce_guess_t2.F... Compiling tce_zero.F... Compiling tce_diis.F... Compiling tce_print_x1.F... Compiling tce_diis_init.F... Compiling tce_print_x2.F... Compiling tce_diis_switch.F... Compiling tce_residual_t1.F... Compiling tce_diis_tidy.F... Compiling tce_residual_t2.F... Compiling tce_jacobi_t1.F... Compiling tce_residual_t3.F... Compiling tce_jacobi_t2.F... Compiling tce_residual_t4.F... Compiling tce_jacobi_t3.F... Compiling ma_pack.F... Compiling tce_jacobi_t4.F... Compiling sf_print.F... Compiling tce_jacobi_l1.F... Compiling ma_print_compact.F... Compiling tce_jacobi_l2.F... Compiling ma_scale.F... Compiling tce_jacobi_l3.F... Compiling copyfile.F... Compiling tce_jacobi_l4.F... Compiling ddotfile.F... Compiling tce_jacobi_x1.F... Compiling daxfile.F... Compiling tce_jacobi_x2.F... Compiling daxpyfile.F... Compiling tce_jacobi_x3.F... Compiling dscalfile.F... Compiling tce_jacobi_x4.F... Compiling tce_aod1.F... Compiling tce_jacobi_y1.F... Compiling tce_nud1.F... Compiling tce_jacobi_y2.F... Compiling tce_mod1.F... Compiling tce_jacobi_y3.F... Compiling tce_mod1_offset.F... Compiling tce_jacobi_y4.F... Compiling sym_abelian_axis.F... Compiling tce_jacobi_t3a.F... Compiling tce_mod1_new.F... Compiling tce_jacobi_x3a.F... tce_mod1_new.F:173:24: 89 | if (debugprint) call ga_print(g_aod1) | 2 ...... 173 | call ga_print(d_mod1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tce_mod1_offset_new.F... Compiling t2_2_y2.F... Compiling tce_eom_init.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/diis' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/diis' Compiling tce_eom_tidy.F... Compiling tce_eom_xdiagon.F... Compiling tce_eom_ydiagon.F... Compiling tce_t1_offset.F... Compiling tce_t2_offset.F... Compiling tce_t3_offset.F... Compiling tce_t4_offset.F... Compiling tce_x1_offset.F... Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a tce_diis.o tce_diis_init.o tce_diis_switch.o tce_diis_tidy.o tce_jacobi_t1.o tce_jacobi_t2.o tce_jacobi_t3.o tce_jacobi_t4.o tce_jacobi_l1.o tce_jacobi_l2.o tce_jacobi_l3.o tce_jacobi_l4.o tce_jacobi_x1.o tce_jacobi_x2.o tce_jacobi_x3.o tce_jacobi_x4.o tce_jacobi_y1.o tce_jacobi_y2.o tce_jacobi_y3.o tce_jacobi_y4.o tce_jacobi_t3a.o tce_jacobi_x3a.o t2_2_y2.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/diis' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/diis' Making all in diis2 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/diis2' Compiling tce_x2_offset.F... Compiling tce_x3_offset.F... Compiling tce_x4_offset.F... Compiling tce_y1_offset.F... Compiling tce_y2_offset.F... Compiling tce_y3_offset.F... Compiling tce_y4_offset.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/diis2' Compiling tce_mbpt2.F... Compiling tce_restricted.F... Compiling tce_hash.F... Compiling get_hash_block.F... Compiling put_hash_block.F... Compiling add_hash_block.F... Compiling tce_residual_t3a.F... Compiling tce_t3a_offset.F... Compiling tce_diis2.F... Compiling tce_x3a_offset.F... Compiling tce_jacobi_tr1.F... Compiling tce_cholesky.F... tce_cholesky.F:58:53: 50 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 58 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,ref)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tce_jacobi_tr2.F... Compiling tce_ao2e_cholesky.F... Compiling tce_jacobi_tr3.F... Compiling tce_ao2e_cholesky_2d.F... Compiling tce_jacobi_tr4.F... Compiling tce_ao2e_cholesky_4d.F... Compiling tce_jacobi_lr1.F... Compiling e2_offset_2_offset.F... Compiling tce_jacobi_lr2.F... Compiling get_block_ind.F... Compiling tce_jacobi_lr3.F... Compiling get_block_ind_sf.F... get_block_ind.F:200:72: 200 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx1' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:18: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx1' was declared here get_block_ind.F:200:72: 200 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx2' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:23: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx2' was declared here get_block_ind.F:200:72: 200 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx3' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:28: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx3' was declared here get_block_ind.F:200:72: 200 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx4' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:33: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx4' was declared here get_block_ind.F:219:72: 219 | key_alpha = first_h | ^ Warning: 'first_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:59:33: 59 | integer key_ix,nkey,first_h,second_h | ^ note: 'first_h' was declared here get_block_ind.F:507:72: 507 | key_alpha = second_h | ^ Warning: 'second_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:59:42: 59 | integer key_ix,nkey,first_h,second_h | ^ note: 'second_h' was declared here Compiling tce_jacobi_lr4.F... Compiling tce_hash_ind.F... Compiling tce_mo2e_offset_intorb.F... get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx1' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:18: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx1' was declared here get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx2' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:23: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx2' was declared here get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx3' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:28: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx3' was declared here get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx4' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:33: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx4' was declared here get_block_ind_sf.F:207:72: 207 | key_alpha = first_h | ^ Warning: 'first_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:45:33: 45 | integer key_ix,nkey,first_h,second_h | ^ note: 'first_h' was declared here get_block_ind_sf.F:435:72: 435 | key_alpha = second_h | ^ Warning: 'second_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:45:42: 45 | integer key_ix,nkey,first_h,second_h | ^ note: 'second_h' was declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/diis2' Compiling tce_mo2e_offset_size.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/diis2' tce_mo2e_offset_intorb.F:141:72: 141 | int_mb(k_a_offset+4*(length1+1)+ipos)=g1a | ^ Warning: 'g1a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:20:25: 20 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g1a' was declared here tce_mo2e_offset_intorb.F:142:72: 142 | int_mb(k_a_offset+5*(length1+1)+ipos)=g2a !last do loop | ^ Warning: 'g2a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:20:29: 20 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g2a' was declared here tce_mo2e_offset_intorb.F:139:72: 139 | int_mb(k_a_offset+2*(length1+1)+ipos)=g3a !first do loop | ^ Warning: 'g3a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:20:17: 20 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g3a' was declared here tce_mo2e_offset_intorb.F:140:72: 140 | int_mb(k_a_offset+3*(length1+1)+ipos)=g4a | ^ Warning: 'g4a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:20:21: 20 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g4a' was declared here tce_mo2e_offset_intorb.F:138:72: 138 | int_mb(k_a_offset+(length1+1)+ipos)=size_last | ^ Warning: 'size_last' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:21:23: 21 | INTEGER size_last | ^ note: 'size_last' was declared here Compiling tce_mo2e_trans.F... tce_mo2e_offset_intorb.F:597:72: 597 | int_mb(k_a_offset+4*(length1+1)+ipos)=g1a | ^ Warning: 'g1a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:470:25: 470 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g1a' was declared here tce_mo2e_offset_intorb.F:598:72: 598 | int_mb(k_a_offset+5*(length1+1)+ipos)=g2a !last do loop | ^ Warning: 'g2a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:470:29: 470 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g2a' was declared here tce_mo2e_offset_intorb.F:595:72: 595 | int_mb(k_a_offset+2*(length1+1)+ipos)=g3a !first do loop | ^ Warning: 'g3a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:470:17: 470 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g3a' was declared here tce_mo2e_offset_intorb.F:596:72: 596 | int_mb(k_a_offset+3*(length1+1)+ipos)=g4a | ^ Warning: 'g4a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:470:21: 470 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g4a' was declared here tce_mo2e_offset_intorb.F:594:72: 594 | int_mb(k_a_offset+(length1+1)+ipos)=size_last | ^ Warning: 'size_last' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:471:23: 471 | INTEGER size_last | ^ note: 'size_last' was declared here Compiling atpart_nalength.F... Compiling tce_mo2e_zones_4a_disk_ga.F... Compiling tce_mo2e_zones_4a_disk_ga_chop.F... Compiling tce_mo2e_zones_4a_disk_2s_new.F... tce_mo2e_zones_4a_disk_ga.F:574:72: 574 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga.F:78:34: 78 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_restart.F... Compiling tce_restart_triples.F... tce_mo2e_zones_4a_disk_ga_chop.F:580:72: 580 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_chop.F:84:34: 84 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a tce_diis2.o tce_jacobi_tr1.o tce_jacobi_tr2.o tce_jacobi_tr3.o tce_jacobi_tr4.o tce_jacobi_lr1.o tce_jacobi_lr2.o tce_jacobi_lr3.o tce_jacobi_lr4.o Compiling tce_restart_quadruples.F... echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/diis2' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/diis2' Making all in gradients make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/gradients' Compiling tce_dens_hh_offset.F... Compiling tce_dens_hp_offset.F... Compiling tce_dens_pp_offset.F... Compiling tce_dens_ph_offset.F... Compiling get_mo_rdm_hh.F... Compiling get_mo_rdm_hp.F... Compiling get_mo_rdm_ph.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/gradients' Compiling get_mo_rdm_pp.F... Compiling ao_rdm_write.F... Compiling tce_prop_start.F... Compiling tce_property.F... Compiling tce_diagnose_t1.F... Compiling tce_fourindex_driver.F... Compiling tce_fock_create.F... Compiling tce_multipole_create.F... Compiling tce_gradient.F... Compiling tce_reference_check.F... tce_gradient.F:325:54: 317 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 325 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,ref)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tce_gradient.F:940:54: 319 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 2 ...... 940 | if (.not.rtdb_put(rtdb,'tce:energy',mt_dbl,1,ref+corr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tce_reference_check.F:43:53: 35 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 43 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,ref)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ccsd_energy.F... Compiling tce_fourindex_cleanup.F... Compiling ccsd_left.F... Compiling tce_fock_destroy.F... Compiling ccsd_gradient.F... Compiling tce_multipole_destroy.F... Compiling ccsd_1pdm_hh_mo.F... Compiling tce_create_t1.F... Compiling ccsd_1pdm_pp_mo.F... Compiling tce_create_t2.F... Compiling ccsd_1pdm_hp_mo.F... Compiling tce_create_t3.F... Compiling ccsd_1pdm_ph_mo.F... Compiling tce_create_t4.F... Compiling ccsd_2pdm_hhhh_mo.F... Compiling tce_create_x1.F... Compiling ccsd_2pdm_hhhp_mo.F... Compiling tce_create_x2.F... Compiling ccsd_2pdm_hhpp_mo.F... Compiling tce_create_x3.F... Compiling ccsd_2pdm_hphh_mo.F... Compiling tce_create_x4.F... Compiling ccsd_2pdm_hphp_mo.F... Compiling tce_create_y1.F... Compiling ccsd_2pdm_hppp_mo.F... Compiling tce_create_y2.F... Compiling ccsd_2pdm_pphh_mo.F... Compiling tce_create_y3.F... Compiling ccsd_2pdm_pphp_mo.F... Compiling tce_create_y4.F... Compiling ccsd_2pdm_pppp_mo.F... Compiling tce_clone_x1.F... Compiling zvec_x_a_a.F... Compiling tce_clone_x2.F... Compiling zvec_x_a_b_a.F... Compiling tce_clone_x3.F... Compiling zvec_x_a_b_b.F... Compiling tce_clone_x4.F... Compiling zvec_x_a_c_a.F... Compiling tce_clone_y1.F... Compiling zvec_x_a_c_b.F... Compiling tce_clone_y2.F... Compiling tce_clone_y3.F... Compiling zvec_x_a_d.F... Compiling tce_clone_y4.F... Compiling zvec_x_a_e_a.F... Compiling zvec_x_a_e_b.F... Compiling tce_t1_offset_new.F... Compiling zvec_x_a_f_a.F... Compiling tce_t2_offset_new.F... Compiling zvec_x_a_f_b.F... Compiling tce_t3_offset_new.F... Compiling zvec_x_b_a_a.F... Compiling tce_t4_offset_new.F... Compiling zvec_x_b_a_b.F... Compiling tce_x1_offset_new.F... Compiling zvec_x_b_b_a.F... Compiling tce_x2_offset_new.F... Compiling zvec_x_b_b_b.F... Compiling tce_x3_offset_new.F... Compiling zvec_x_b_c.F... Compiling tce_x4_offset_new.F... Compiling zvec_x_b_d_a.F... Compiling tce_y1_offset_new.F... Compiling zvec_x_b_d_b.F... Compiling tce_y2_offset_new.F... Compiling zvec_x_b_e_a.F... Compiling tce_y3_offset_new.F... Compiling tce_y4_offset_new.F... Compiling zvec_x_b_e_b.F... Compiling zvec_x_b_f.F... Compiling tce_ccsd_driver.F... Compiling zvec_x_c_a.F... Compiling tce_ccsdt_driver.F... Compiling zvec_x_c_b.F... Compiling tce_ccsdtq_driver.F... Compiling ccsd_zvec.F... Compiling tce_ccsd_perturbative.F... Compiling wdm_hh_mo_a.F... Compiling tce_ccsd_lambda_perturbative.F... Compiling wdm_hh_mo_b_a_a.F... Compiling tce_ccsd_lambda_driver.F... Compiling wdm_hh_mo_b_a_b.F... Compiling tce_ccsdt_lambda_driver.F... Compiling wdm_hh_mo_b_b_a.F... Compiling tce_ccsdtq_lambda_driver.F... Compiling wdm_hh_mo_b_b_b.F... Compiling tce_ccsd_response_driver.F... Compiling wdm_hh_mo_c_a.F... Compiling tce_ccsdt_response_driver.F... Compiling wdm_hh_mo_c_b_a.F... Compiling tce_ccsdtq_response_driver.F... Compiling wdm_hh_mo_c_b_b.F... Compiling tce_ccsd_symm_polar.F... Compiling wdm_hh_mo_c_c_a.F... Compiling tce_ccsdt_symm_polar.F... Compiling wdm_hh_mo_c_c_b.F... Compiling tce_ccsdtq_symm_polar.F... Compiling wdm_hh_mo_c_d.F... Compiling tce_ccsd_lambda_response_driver.F... Compiling wdm_hh_mo_c_e_a.F... Compiling tce_ccsd_asym_polar.F... Compiling wdm_hh_mo_c_e_b.F... Compiling tce_ccsd_hyperpolar.F... Compiling wdm_hh_mo_c_f_a.F... Compiling tce_ao2e_new.F... Compiling wdm_hh_mo_c_f_b.F... Compiling tce_mo2e_new.F... Compiling wdm_hh_mo_d.F... Compiling tce_tile_new.F... tce_tile_new.F:112:50: 98 | if (rtdb_get(rtdb,'tce:tilesize',mt_int,1,jsize)) then | 2 ...... 112 | if (.not.rtdb_get(rtdb,'tce:vcut',mt_dbl,1,vcut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling wdm_hp_mo_a.F... Compiling tce_init_new.F... tce_tile_new.F:451:72: 451 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_tile_new.F:387:23: 387 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here tce_init_new.F:121:51: 78 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 121 | if (.not.rtdb_get(rtdb,'dft:ipol',mt_int,1,ipol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tce_init_new.F:201:54: 191 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 201 | if (.not.rtdb_put(rtdb,'tce:maxiter',mt_int,1,maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). tce_init_new.F:335:59: 191 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 335 | if (.not.rtdb_put(rtdb,'tce:afreq',mt_dbl,anumfreq,afreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init_new.F:349:59: 191 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 349 | if (.not.rtdb_put(rtdb,'tce:bfreq',mt_dbl,bnumfreq,bfreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init_new.F:353:53: 78 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 353 | if (.not.rtdb_get(rtdb,'tce:respaxis',mt_log,3,respaxis)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling wdm_hp_mo_b_a_a.F... Compiling tce_mo2e_zones_4a_disk_4s_new_patch.F... Compiling wdm_hp_mo_b_a_b.F... tce_tile_new.F:750:72: 750 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_tile_new.F:686:23: 686 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m2.F... tce_init_new.F:602:10: 602 | if (rohf) nmo(2) = nmo(1) | ^ Warning: 'rohf' may be used uninitialized [-Wmaybe-uninitialized] tce_init_new.F:42:18: 42 | logical rohf | ^ note: 'rohf' was declared here Compiling wdm_hp_mo_b_b_a.F... Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m3.F... Compiling wdm_hp_mo_b_b_b.F... Compiling tce_ao2e_disk.F... Compiling tce_mo2e_disk.F... Compiling wdm_hp_mo_b_c.F... Compiling wdm_hp_mo_b_d_a.F... Compiling tce_mo2e_disk_2eorb.F... Compiling wdm_hp_mo_b_d_b.F... Compiling tce_mo2e_incore_2eorb.F... tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:262:10: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_max2' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:101:33: 101 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'size_max2' declared here tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:262:10: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_4af' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:96:41: 96 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here Compiling wdm_hp_mo_b_e_a.F... Compiling tce_mo2e_incore_2eorb_split.F... Compiling wdm_hp_mo_b_e_b.F... Compiling tce_mo2e_hybrid_2eorb_split.F... tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:261:11: 261 | if(size_4af.le.size_max2) then | ^ Warning: 'size_max2' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:101:33: 101 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'size_max2' declared here tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:261:11: 261 | if(size_4af.le.size_max2) then | ^ Warning: 'size_4af' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:96:41: 96 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here Compiling wdm_hp_mo_b_f.F... Compiling tce_mo2e_offset_intorb_hybrid.F... Compiling wdm_hp_mo_c.F... Compiling tce_mo2e_2emet3.F... Compiling tce_mo2e_2emet3_n5.F... Compiling wdm_pp_mo_a.F... tce_mo2e_2emet3.F:572:72: 572 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_2emet3.F:76:34: 76 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here tce_mo2e_2emet3_n5.F:602:72: 602 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_2emet3_n5.F:76:34: 76 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_mo2e_2emet4.F... tce_mo2e_hybrid_2eorb_split.F:262:11: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_max2' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_hybrid_2eorb_split.F:102:33: 102 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'size_max2' declared here tce_mo2e_hybrid_2eorb_split.F:262:11: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_4af' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_hybrid_2eorb_split.F:97:41: 97 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here Compiling wdm_pp_mo_b_a_a.F... tce_mo2e_2emet4.F:578:72: 578 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_2emet4.F:82:34: 82 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_mo2e_2emet4_n5.F... Compiling wdm_pp_mo_b_a_b.F... Compiling wdm_pp_mo_b_b_a.F... Compiling get_hash_block_ma.F... Compiling wdm_pp_mo_b_b_b.F... Compiling ccsd_energy_loc.F... tce_mo2e_2emet4_n5.F:578:72: 578 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_2emet4_n5.F:82:34: 82 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling wdm_pp_mo_b_c.F... Compiling cc2_energy.F... Compiling wdm_pp_mo_b_d_a.F... Compiling ccsd_lambda.F... Compiling wdm_pp_mo_b_d_b.F... Compiling ccsd_lr_alpha.F... Compiling wdm_pp_mo_b_e_a.F... Compiling ccsd_qr_beta.F... Compiling wdm_pp_mo_b_e_b.F... Compiling tce_dgeev.F... tce_dgeev.F:402:72: 402 | WORK( 1 ) = MAXWRK | ^ Warning: 'maxwrk' may be used uninitialized [-Wmaybe-uninitialized] tce_dgeev.F:124:37: 124 | $ MAXB, MAXWRK, MINWRK, NOUT | ^ note: 'maxwrk' was declared here Compiling wdm_pp_mo_b_f.F... Compiling tce_schmidt.F... Compiling tensor_read_write.F... Compiling tce_grad_tidy.F... tensor_read_write.F:129:39: 95 | k = eaf_write(unitn, offset, max_ioprocs, | 2 ...... 129 | k = eaf_write(unitn, offset, dbl_mb(k_aux),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tensor_read_write.F:302:38: 275 | k = eaf_read(unitn, offset, max_ioprocs_r, | 2 ...... 302 | k = eaf_read(unitn, offset, dbl_mb(k_aux),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tce_diis_act.F... Compiling tce_ccsd_1prdm.F... Compiling tce_dens_hhhh_offset.F... Compiling tce_mo2e_zones_4a_disk_ga_act.F... Compiling tce_dens_hhhp_offset.F... Compiling tce_mo2e_zones_4a_disk_ga_chop_act.F... Compiling tce_dens_hhpp_offset.F... Compiling tce_t2a_offset.F... Compiling tce_dens_hphh_offset.F... Compiling tce_x2a_offset.F... tce_mo2e_zones_4a_disk_ga_act.F:738:72: 738 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_act.F:86:34: 86 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_dens_hphp_offset.F... Compiling new_ga4ind_N5.F... tce_mo2e_zones_4a_disk_ga_chop_act.F:753:72: 753 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_chop_act.F:91:34: 91 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_dens_hppp_offset.F... Compiling new4ind_N5_osu.F... new_ga4ind_N5.F:2049:39: 2049 | call n4ind_transp(buf,dbl_mb(k_work1),nalength, | 1 Warning: Rank mismatch in argument 'k_4a' at (1) (rank-1 and scalar) Compiling tce_mo2e_zones_4a_disk_ga_N5.F... Compiling tce_dens_pphh_offset.F... Compiling tce_mo2e_zones_4a_disk_ga_chop_N5.F... Compiling tce_dens_pphp_offset.F... Compiling tce_eom_xguess.F... Compiling tce_dens_pppp_offset.F... Compiling tce_eom_yguess.F... Compiling tce_zvec_x1_offset.F... Compiling ma_transpose.F... Compiling tce_2pdm_offset.F... tce_mo2e_zones_4a_disk_ga_chop_N5.F:738:72: 738 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_chop_N5.F:91:34: 91 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling put_2pdm_hhhh.F... tce_mo2e_zones_4a_disk_ga_N5.F:700:72: 700 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_N5.F:86:34: 86 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling put_2pdm_hhhp.F... Compiling put_2pdm_hhpp.F... Compiling put_2pdm_hphh.F... Compiling put_2pdm_hphp.F... Compiling put_2pdm_hppp.F... Compiling put_2pdm_pphh.F... Compiling put_2pdm_pphp.F... Compiling put_2pdm_pppp.F... Compiling tce_1pdm_offset.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce' Compiling put_1pdm_hh.F... Compiling put_1pdm_hp.F... Compiling put_1pdm_ph.F... Compiling put_1pdm_ph_2.F... Compiling put_1pdm_pp.F... Compiling put_1pwdm_hp.F... Compiling ao_tiles.F... Compiling btrans1.F... Compiling ao_1prdm_write.F... Compiling tce_gradients_doit.F... Compiling tce_grad_force.F... tce_grad_force.F:202:63: 200 | if (.not. rtdb_get(rtdb, 'dft:cdfit', mt_log, 1, ocdfit)) | 2 201 | $ ocdfit = .false. 202 | if (.not. rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, xfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling tce_grad1.F... Compiling tce_grad2.F... Compiling sym_2pdm_ao.F... Compiling btrans2.F... Compiling eomccsd_energy.F... Compiling eomccsd_left.F... Compiling eomccsd_gradients.F... Compiling eomccsd_1pdm_hh_mo.F... Compiling eomccsd_1pdm_pp_mo.F... Compiling tce_eomccsd_1prdm.F... Compiling eomccsd_2pdm_hhhh_mo.F... Compiling eomccsd_2pdm_hhhp_mo.F... Compiling eomccsd_2pdm_hhpp_mo.F... Compiling eomccsd_2pdm_hphh_mo.F... Compiling eomccsd_2pdm_hphp_mo.F... Compiling eomccsd_2pdm_hppp_mo.F... Compiling eomccsd_2pdm_pphh_mo.F... Compiling eomccsd_2pdm_pphp_mo.F... Compiling eomccsd_2pdm_pppp_mo.F... Compiling eomccsd_z1.F... Compiling eomccsd_z2.F... Compiling eomccsd_2pdm_pphh_zvec_mo.F... Compiling eomccsd_1pdm_hp_mo.F... Compiling eomccsd_1pdm_ph_mo.F... Compiling eomccsd_x1_grad.F... Compiling eomccsd_x2_grad.F... Compiling tce_eom_xdiagon_grad.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/gradients' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/gradients' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a tce_gradient.o ccsd_energy.o ccsd_left.o ccsd_gradient.o ccsd_1pdm_hh_mo.o ccsd_1pdm_pp_mo.o ccsd_1pdm_hp_mo.o ccsd_1pdm_ph_mo.o ccsd_2pdm_hhhh_mo.o ccsd_2pdm_hhhp_mo.o ccsd_2pdm_hhpp_mo.o ccsd_2pdm_hphh_mo.o ccsd_2pdm_hphp_mo.o ccsd_2pdm_hppp_mo.o ccsd_2pdm_pphh_mo.o ccsd_2pdm_pphp_mo.o ccsd_2pdm_pppp_mo.o zvec_x_a_a.o zvec_x_a_b_a.o zvec_x_a_b_b.o zvec_x_a_c_a.o zvec_x_a_c_b.o zvec_x_a_d.o zvec_x_a_e_a.o zvec_x_a_e_b.o zvec_x_a_f_a.o zvec_x_a_f_b.o zvec_x_b_a_a.o zvec_x_b_a_b.o zvec_x_b_b_a.o zvec_x_b_b_b.o zvec_x_b_c.o zvec_x_b_d_a.o zvec_x_b_d_b.o zvec_x_b_e_a.o zvec_x_b_e_b.o zvec_x_b_f.o zvec_x_c_a.o zvec_x_c_b.o ccsd_zvec.o wdm_hh_mo_a.o wdm_hh_mo_b_a_a.o wdm_hh_mo_b_a_b.o wdm_hh_mo_b_b_a.o wdm_hh_mo_b_b_b.o wdm_hh_mo_c_a.o wdm_hh_mo_c_b_a.o wdm_hh_mo_c_b_b.o wdm_hh_mo_c_c_a.o wdm_hh_mo_c_c_b.o wdm_hh_mo_c_d.o wdm_hh_mo_c_e_a.o wdm_hh_mo_c_e_b.o wdm_hh_mo_c_f_a.o wdm_hh_mo_c_f_b.o wdm_hh_mo_d.o wdm_hp_mo_a.o wdm_hp_mo_b_a_a.o wdm_hp_mo_b_a_b.o wdm_hp_mo_b_b_a.o wdm_hp_mo_b_b_b.o wdm_hp_mo_b_c.o wdm_hp_mo_b_d_a.o wdm_hp_mo_b_d_b.o wdm_hp_mo_b_e_a.o wdm_hp_mo_b_e_b.o wdm_hp_mo_b_f.o wdm_hp_mo_c.o wdm_pp_mo_a.o wdm_pp_mo_b_a_a.o wdm_pp_mo_b_a_b.o wdm_pp_mo_b_b_a.o wdm_pp_mo_b_b_b.o wdm_pp_mo_b_c.o wdm_pp_mo_b_d_a.o wdm_pp_mo_b_d_b.o wdm_pp_mo_b_e_a.o wdm_pp_mo_b_e_b.o wdm_pp_mo_b_f.o tce_grad_tidy.o tce_ccsd_1prdm.o tce_dens_hhhh_offset.o tce_dens_hhhp_offset.o tce_dens_hhpp_offset.o tce_dens_hphh_offset.o tce_dens_hphp_offset.o tce_dens_hppp_offset.o tce_dens_pphh_offset.o tce_dens_pphp_offset.o tce_dens_pppp_offset.o tce_zvec_x1_offset.o tce_2pdm_offset.o put_2pdm_hhhh.o put_2pdm_hhhp.o put_2pdm_hhpp.o put_2pdm_hphh.o put_2pdm_hphp.o put_2pdm_hppp.o put_2pdm_pphh.o put_2pdm_pphp.o put_2pdm_pppp.o tce_1pdm_offset.o put_1pdm_hh.o put_1pdm_hp.o put_1pdm_ph.o put_1pdm_ph_2.o put_1pdm_pp.o put_1pwdm_hp.o ao_tiles.o btrans1.o ao_1prdm_write.o tce_gradients_doit.o tce_grad_force.o tce_grad1.o tce_grad2.o sym_2pdm_ao.o btrans2.o eomccsd_energy.o eomccsd_left.o eomccsd_gradients.o eomccsd_1pdm_hh_mo.o eomccsd_1pdm_pp_mo.o tce_eomccsd_1prdm.o eomccsd_2pdm_hhhh_mo.o eomccsd_2pdm_hhhp_mo.o eomccsd_2pdm_hhpp_mo.o eomccsd_2pdm_hphh_mo.o eomccsd_2pdm_hphp_mo.o eomccsd_2pdm_hppp_mo.o eomccsd_2pdm_pphh_mo.o eomccsd_2pdm_pphp_mo.o eomccsd_2pdm_pppp_mo.o eomccsd_z1.o eomccsd_z2.o eomccsd_2pdm_pphh_zvec_mo.o eomccsd_1pdm_hp_mo.o eomccsd_1pdm_ph_mo.o eomccsd_x1_grad.o eomccsd_x2_grad.o tce_eom_xdiagon_grad.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/gradients' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/gradients' Making all in ccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd' Compiling ccsd_e.F... Compiling ccsd_t1.F... Compiling ccsd_t2.F... Compiling cc2_t1.F... Compiling cc2_t2.F... Compiling ccsd_1prdm.F... Compiling ccsd_1prdm_hh.F... Compiling ccsd_1prdm_hp.F... Compiling ccsd_1prdm_ph.F... Compiling ccsd_1prdm_pp.F... Compiling icsd_t1.F... Compiling icsd_t2.F... Compiling ccsd_kernels.F... Compiling ccsd_t2_8.F... Compiling tce_1b_dens_print.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a ccsd_e.o ccsd_t1.o ccsd_t2.o cc2_t1.o cc2_t2.o ccsd_1prdm.o ccsd_1prdm_hh.o ccsd_1prdm_hp.o ccsd_1prdm_ph.o ccsd_1prdm_pp.o icsd_t1.o icsd_t2.o ccsd_kernels.o ccsd_t2_8.o tce_1b_dens_print.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd' Making all in ccsd_lambda make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_lambda' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_lambda' Compiling ccsd_lambda1_1.F... Compiling ccsd_lambda1_2.F... Compiling ccsd_lambda2.F... Compiling ccsd_density1.F... Compiling ccsd_lambda1_mod.F... ccsd_lambda1_mod.F:5436:72: 5436 | &+nvab) * (h6b_2 - 1))))) | 1 Warning: Missing actual argument for argument '_formal_44' at (1) make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_lambda' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_lambda' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a ccsd_lambda1_1.o ccsd_lambda1_2.o ccsd_lambda2.o ccsd_density1.o ccsd_lambda1_mod.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_lambda' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_lambda' Making all in eomccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsd' Compiling eomccsd_x1.F... Compiling eomccsd_x2.F... Compiling eomccsd_y1.F... Compiling eomccsd_y2.F... Compiling eomccsd_density1.F... Compiling eomccsd_denominator.F... Compiling cc2_x1.F... Compiling cc2_x2.F... Compiling eomccsd_1prdm.F... Compiling eomccsd_1prdm_hh.F... Compiling eomccsd_1prdm_hp.F... Compiling eomccsd_1prdm_ph.F... Compiling eomccsd_1prdm_pp.F... Compiling eomccsd_x1_old.F... Compiling eomccsd_x2_old.F... Compiling eomicsd_x1.F... Compiling eomicsd_x2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a eomccsd_x1.o eomccsd_x2.o eomccsd_y1.o eomccsd_y2.o eomccsd_density1.o eomccsd_denominator.o cc2_x1.o cc2_x2.o eomccsd_1prdm.o eomccsd_1prdm_hh.o eomccsd_1prdm_hp.o eomccsd_1prdm_ph.o eomccsd_1prdm_pp.o eomccsd_x1_old.o eomccsd_x2_old.o eomicsd_x1.o eomicsd_x2.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsd' Making all in ccsd_t make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_t' Compiling cr_ccsd_t.F... cr_ccsd_t.F:79:72: 79 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_ccsd_t.F:33:21: 33 | integer k_right,l_right | ^ note: 'k_right' declared here cr_ccsd_t.F:82:72: 82 | 2 l_i1_offset_3,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den' is used uninitialized [-Wuninitialized] cr_ccsd_t.F:32:19: 32 | integer k_den,l_den | ^ note: 'k_den' declared here Compiling lr_ccsd_t.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_t' Compiling ccsd_t.F... Compiling ccsd_t_doubles.F... Compiling ccsd_t_singles.F... Compiling lambda_ccsd_t.F... Compiling lambda_ccsd_t_left.F... Compiling ccsd_t_doubles_l.F... Compiling ccsd_t_singles_l.F... Compiling ccsd2_t.F... ccsd2_t.F:75:72: 75 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] ccsd2_t.F:35:21: 35 | integer k_right,l_right | ^ note: 'k_right' declared here ccsd2_t.F:80:72: 80 | 4 l_i1_offset_5,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] ccsd2_t.F:36:20: 36 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling ccsd2_t_left.F... Compiling ccsd2_q.F... ccsd2_q.F:55:72: 55 | 4 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] ccsd2_q.F:32:21: 32 | integer k_right,l_right | ^ note: 'k_right' declared here Compiling ccsd2_q_left.F... ccsd2_q.F:58:72: 58 | 2 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] ccsd2_q.F:33:20: 33 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling ccsd2_q_right.F... Compiling ccsdt2_q.F... ccsdt2_q.F:77:72: 77 | 7 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] ccsdt2_q.F:42:21: 42 | integer k_right,l_right | ^ note: 'k_right' declared here ccsdt2_q.F:83:72: 83 | 5 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] ccsdt2_q.F:43:20: 43 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling ccsdt2_q_left.F... Compiling ccsdt2_q_right.F... Compiling cr_ccsd_t_D.F... Compiling cr_ccsd_t_E.F... Compiling cr_ccsd_t_N.F... Compiling lr_ccsd_tq.F... Compiling cr_qcisd_t.F... Compiling m2_dot_m1t1.F... Compiling ccsd_t_restart.F... ccsd_t_restart.F:82:21: 59 | 1 ccsd_t_restart_begin)) then | 2 ...... 82 | 1 size_table,dbl_mb(k_triples_table))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ccsd_t_restart.F:87:23: 62 | 1 ccsd_t_restart_begin)) then | 2 ...... 87 | 1 size_table,dbl_mb(k_triples_table))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cr_qcisd_t.F:260:72: 260 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right_3' is used uninitialized [-Wuninitialized] cr_qcisd_t.F:221:23: 221 | integer k_right_3,l_right_3 | ^ note: 'k_right_3' declared here cr_qcisd_t.F:263:72: 263 | 2 l_i1_offset_3,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_denom' is used uninitialized [-Wuninitialized] cr_qcisd_t.F:222:21: 222 | integer k_denom,l_denom | ^ note: 'k_denom' declared here Compiling ccsd_t_6dts.F... Compiling ccsd_t_singles_l_6dts.F... Compiling ccsd_t_doubles_l_6dts.F... Compiling ccsd_t_dts_kernels_omp.F... Compiling ccsd_t_transpose.F... Compiling offl_ccsd_t_doubles_l.F... Compiling ccsd_t_kernels_omp.F... Compiling tce_hashnsort.F... Compiling ccsd_t_pstat.F... Compiling ccsd_t_dot.F... Compiling ccsd_t_neword.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_t' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_t' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a cr_ccsd_t.o lr_ccsd_t.o ccsd_t.o ccsd_t_doubles.o ccsd_t_singles.o lambda_ccsd_t.o lambda_ccsd_t_left.o ccsd_t_doubles_l.o ccsd_t_singles_l.o ccsd2_t.o ccsd2_t_left.o ccsd2_q.o ccsd2_q_left.o ccsd2_q_right.o ccsdt2_q.o ccsdt2_q_left.o ccsdt2_q_right.o cr_ccsd_t_D.o cr_ccsd_t_E.o cr_ccsd_t_N.o lr_ccsd_tq.o cr_qcisd_t.o m2_dot_m1t1.o ccsd_t_restart.o ccsd_t_6dts.o ccsd_t_singles_l_6dts.o ccsd_t_doubles_l_6dts.o ccsd_t_dts_kernels_omp.o ccsd_t_transpose.o offl_ccsd_t_doubles_l.o ccsd_t_kernels_omp.o tce_hashnsort.o ccsd_t_pstat.o ccsd_t_dot.o ccsd_t_neword.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_t' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_t' Making all in cr-eomccsd_t make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cr-eomccsd_t' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cr-eomccsd_t' Compiling c1_c1.F... Compiling c2_c2.F... Compiling cr_eomccsd_t.F... cr_eomccsd_t.F:265:72: 265 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t.F:83:21: 83 | integer k_right,l_right !r0*M3(T1,T2) | ^ note: 'k_right' declared here cr_eomccsd_t.F:279:72: 279 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t.F:85:20: 85 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling cr_eomccsd_t_gr.F... cr_eomccsd_t_gr.F:143:72: 143 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right1' is used uninitialized [-Wuninitialized] cr_eomccsd_t_gr.F:64:22: 64 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here cr_eomccsd_t_gr.F:153:72: 153 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den0' is used uninitialized [-Wuninitialized] cr_eomccsd_t_gr.F:66:20: 66 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here Compiling t2t12.F... Compiling nr0.F... Compiling c1excit2.F... Compiling c2excit2.F... Compiling q3rexpt2.F... Compiling cr_s_m3.F... Compiling cr_eomccsd_t_n2.F... Compiling cr_eomccsd_t_n2_1.F... Compiling cr_eomccsd_t_n2_1_1.F... Compiling offset_cr_eomccsd_t_n2_1_1.F... Compiling cr_eomccsd_t_n2_1_1_1.F... Compiling offset_cr_eomccsd_t_n2_1_1_1.F... Compiling cr_eomccsd_t_n2_1_1_2.F... Compiling cr_eomccsd_t_n2_1_1_2_1.F... Compiling offset_cr_eomccsd_t_n2_1_1_2_1.F... Compiling cr_eomccsd_t_n2_1_1_2_2.F... Compiling cr_eomccsd_t_n2_1_1_3.F... Compiling cr_eomccsd_t_n2_1_2.F... Compiling cr_eomccsd_t_n2_1_3.F... Compiling cr_eomccsd_t_n2_1_3_1.F... Compiling offset_cr_eomccsd_t_n2_1_3_1.F... Compiling cr_eomccsd_t_n2_1_3_2.F... Compiling cr_eomccsd_t_n2_1_3_2_1.F... Compiling offset_cr_eomccsd_t_n2_1_3_2_1.F... Compiling cr_eomccsd_t_n2_1_3_3.F... Compiling cr_eomccsd_t_n2_1_4.F... Compiling cr_eomccsd_t_n2_1_4_1.F... Compiling offset_cr_eomccsd_t_n2_1_4_1.F... Compiling cr_eomccsd_t_n2_1_5.F... Compiling cr_eomccsd_t_n2_1_5_1.F... Compiling offset_cr_eomccsd_t_n2_1_5_1.F... Compiling cr_eomccsd_t_n2_1_6.F... Compiling cr_eomccsd_t_n2_1_6_1.F... Compiling offset_cr_eomccsd_t_n2_1_6_1.F... Compiling cr_eomccsd_t_n2_1_7.F... Compiling cr_eomccsd_t_n2_1_7_1.F... Compiling offset_cr_eomccsd_t_n2_1_7_1.F... Compiling cr_eomccsd_t_n2_1_7_2.F... Compiling cr_eomccsd_t_n2_1_8.F... Compiling cr_eomccsd_t_n2_1_8_1.F... Compiling offset_cr_eomccsd_t_n2_1_8_1.F... Compiling cr_eomccsd_t_n2_1_8_2.F... Compiling cr_eomccsd_t_n2_1_9.F... Compiling cr_eomccsd_t_n2_2.F... Compiling cr_eomccsd_t_n2_2_1.F... Compiling offset_cr_eomccsd_t_n2_2_1.F... Compiling cr_eomccsd_t_n2_2_1_1.F... Compiling offset_cr_eomccsd_t_n2_2_1_1.F... Compiling cr_eomccsd_t_n2_2_1_2.F... Compiling cr_eomccsd_t_n2_2_1_3.F... Compiling cr_eomccsd_t_n2_2_1_4.F... Compiling cr_eomccsd_t_n2_3.F... Compiling cr_eomccsd_t_n2_3_1.F... Compiling offset_cr_eomccsd_t_n2_3_1.F... Compiling cr_eomccsd_t_n2_3_2.F... Compiling cr_eomccsd_t_n2_3_2_1.F... Compiling offset_cr_eomccsd_t_n2_3_2_1.F... Compiling cr_eomccsd_t_n2_3_3.F... Compiling cr_eomccsd_t_n2_3_3_1.F... Compiling offset_cr_eomccsd_t_n2_3_3_1.F... Compiling cr_eomccsd_t_n2_3_3_2.F... Compiling cr_eomccsd_t_n2_3_4.F... Compiling cr_eomccsd_t_n2_4.F... Compiling cr_eomccsd_t_n2_4_1.F... Compiling offset_cr_eomccsd_t_n2_4_1.F... Compiling cr_eomccsd_t_n2_4_1_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_1.F... Compiling cr_eomccsd_t_n2_4_1_2.F... Compiling cr_eomccsd_t_n2_4_1_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_2_1.F... Compiling cr_eomccsd_t_n2_4_1_3.F... Compiling cr_eomccsd_t_n2_4_1_3_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_3_1.F... Compiling cr_eomccsd_t_n2_4_1_4.F... Compiling cr_eomccsd_t_n2_4_2.F... Compiling cr_eomccsd_t_n2_4_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_2_1.F... Compiling cr_eomccsd_t_n2_4_2_2.F... Compiling cr_eomccsd_t_n2_4_2_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_2_2_1.F... Compiling cr_eomccsd_t_n2_4_2_2_2.F... Compiling cr_eomccsd_t_n2_4_2_3.F... Compiling cr_eomccsd_t_n2_4_2_4.F... Compiling cr_eomccsd_t_n2_5.F... Compiling cr_eomccsd_t_n2_5_1.F... Compiling offset_cr_eomccsd_t_n2_5_1.F... Compiling cr_eomccsd_t_n2_5_2.F... Compiling cr_eomccsd_t_n2_5_2_1.F... Compiling offset_cr_eomccsd_t_n2_5_2_1.F... Compiling cr_eomccsd_t_n2_5_2_2.F... Compiling cr_eomccsd_t_n2_5_2_2_1.F... Compiling offset_cr_eomccsd_t_n2_5_2_2_1.F... Compiling cr_eomccsd_t_n2_5_2_2_2.F... Compiling cr_eomccsd_t_n2_5_2_3.F... Compiling cr_eomccsd_t_n2_5_3.F... Compiling cr_eomccsd_t_n2_5_3_1.F... Compiling offset_cr_eomccsd_t_n2_5_3_1.F... Compiling cr_eomccsd_t_n2_5_3_2.F... Compiling cr_eomccsd_t_n2_5_4.F... Compiling cr_eomccsd_t_n2_5_4_1.F... Compiling offset_cr_eomccsd_t_n2_5_4_1.F... Compiling cr_eomccsd_t_n2_5_4_2.F... Compiling cr_eomccsd_t_n2_5_5.F... Compiling cr_eomccsd_t_n2_5_5_1.F... Compiling offset_cr_eomccsd_t_n2_5_5_1.F... Compiling cr_eomccsd_t_n2_5_5_2.F... Compiling cr_eomccsd_t_n2_5_6.F... Compiling cr_eomccsd_t_n2_6.F... Compiling cr_eomccsd_t_n2_6_1.F... Compiling offset_cr_eomccsd_t_n2_6_1.F... Compiling cr_eomccsd_t_n2_6_2.F... Compiling cr_eomccsd_t_n2_6_3.F... Compiling cr_eomccsd_t_n2_6_3_1.F... Compiling offset_cr_eomccsd_t_n2_6_3_1.F... Compiling cr_eomccsd_t_n2_6_3_2.F... Compiling cr_eomccsd_t_n2_6_4.F... Compiling creomccsd_t_n2_mem.F... Compiling q3rexpt2_6dts.F... Compiling creomccsd_t_n2_mem_6dts.F... Compiling cr_eomccsd_t_6dts.F... Compiling cr_ccsd_t_N_6dts.F... cr_eomccsd_t_6dts.F:280:72: 280 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts.F:95:21: 95 | integer k_right,l_right !r0*M3(T1,T2) | ^ note: 'k_right' declared here cr_eomccsd_t_6dts.F:294:72: 294 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts.F:97:20: 97 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling cr_ccsd_t_E_6dts.F... Compiling cr_eomccsd_t_6dts_d4d5_parallel.F... cr_eomccsd_t_6dts_d4d5_parallel.F:276:72: 276 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts_d4d5_parallel.F:91:21: 91 | integer k_right,l_right !r0*M3(T1,T2) | ^ note: 'k_right' declared here cr_eomccsd_t_6dts_d4d5_parallel.F:290:72: 290 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts_d4d5_parallel.F:93:20: 93 | integer k_left,l_left | ^ note: 'k_left' declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cr-eomccsd_t' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cr-eomccsd_t' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a c1_c1.o c2_c2.o cr_eomccsd_t.o cr_eomccsd_t_gr.o t2t12.o nr0.o c1excit2.o c2excit2.o q3rexpt2.o cr_s_m3.o cr_eomccsd_t_n2.o cr_eomccsd_t_n2_1.o cr_eomccsd_t_n2_1_1.o offset_cr_eomccsd_t_n2_1_1.o cr_eomccsd_t_n2_1_1_1.o offset_cr_eomccsd_t_n2_1_1_1.o cr_eomccsd_t_n2_1_1_2.o cr_eomccsd_t_n2_1_1_2_1.o offset_cr_eomccsd_t_n2_1_1_2_1.o cr_eomccsd_t_n2_1_1_2_2.o cr_eomccsd_t_n2_1_1_3.o cr_eomccsd_t_n2_1_2.o cr_eomccsd_t_n2_1_3.o cr_eomccsd_t_n2_1_3_1.o offset_cr_eomccsd_t_n2_1_3_1.o cr_eomccsd_t_n2_1_3_2.o cr_eomccsd_t_n2_1_3_2_1.o offset_cr_eomccsd_t_n2_1_3_2_1.o cr_eomccsd_t_n2_1_3_3.o cr_eomccsd_t_n2_1_4.o cr_eomccsd_t_n2_1_4_1.o offset_cr_eomccsd_t_n2_1_4_1.o cr_eomccsd_t_n2_1_5.o cr_eomccsd_t_n2_1_5_1.o offset_cr_eomccsd_t_n2_1_5_1.o cr_eomccsd_t_n2_1_6.o cr_eomccsd_t_n2_1_6_1.o offset_cr_eomccsd_t_n2_1_6_1.o cr_eomccsd_t_n2_1_7.o cr_eomccsd_t_n2_1_7_1.o offset_cr_eomccsd_t_n2_1_7_1.o cr_eomccsd_t_n2_1_7_2.o cr_eomccsd_t_n2_1_8.o cr_eomccsd_t_n2_1_8_1.o offset_cr_eomccsd_t_n2_1_8_1.o cr_eomccsd_t_n2_1_8_2.o cr_eomccsd_t_n2_1_9.o cr_eomccsd_t_n2_2.o cr_eomccsd_t_n2_2_1.o offset_cr_eomccsd_t_n2_2_1.o cr_eomccsd_t_n2_2_1_1.o offset_cr_eomccsd_t_n2_2_1_1.o cr_eomccsd_t_n2_2_1_2.o cr_eomccsd_t_n2_2_1_3.o cr_eomccsd_t_n2_2_1_4.o cr_eomccsd_t_n2_3.o cr_eomccsd_t_n2_3_1.o offset_cr_eomccsd_t_n2_3_1.o cr_eomccsd_t_n2_3_2.o cr_eomccsd_t_n2_3_2_1.o offset_cr_eomccsd_t_n2_3_2_1.o cr_eomccsd_t_n2_3_3.o cr_eomccsd_t_n2_3_3_1.o offset_cr_eomccsd_t_n2_3_3_1.o cr_eomccsd_t_n2_3_3_2.o cr_eomccsd_t_n2_3_4.o cr_eomccsd_t_n2_4.o cr_eomccsd_t_n2_4_1.o offset_cr_eomccsd_t_n2_4_1.o cr_eomccsd_t_n2_4_1_1.o offset_cr_eomccsd_t_n2_4_1_1.o cr_eomccsd_t_n2_4_1_2.o cr_eomccsd_t_n2_4_1_2_1.o offset_cr_eomccsd_t_n2_4_1_2_1.o cr_eomccsd_t_n2_4_1_3.o cr_eomccsd_t_n2_4_1_3_1.o offset_cr_eomccsd_t_n2_4_1_3_1.o cr_eomccsd_t_n2_4_1_4.o cr_eomccsd_t_n2_4_2.o cr_eomccsd_t_n2_4_2_1.o offset_cr_eomccsd_t_n2_4_2_1.o cr_eomccsd_t_n2_4_2_2.o cr_eomccsd_t_n2_4_2_2_1.o offset_cr_eomccsd_t_n2_4_2_2_1.o cr_eomccsd_t_n2_4_2_2_2.o cr_eomccsd_t_n2_4_2_3.o cr_eomccsd_t_n2_4_2_4.o cr_eomccsd_t_n2_5.o cr_eomccsd_t_n2_5_1.o offset_cr_eomccsd_t_n2_5_1.o cr_eomccsd_t_n2_5_2.o cr_eomccsd_t_n2_5_2_1.o offset_cr_eomccsd_t_n2_5_2_1.o cr_eomccsd_t_n2_5_2_2.o cr_eomccsd_t_n2_5_2_2_1.o offset_cr_eomccsd_t_n2_5_2_2_1.o cr_eomccsd_t_n2_5_2_2_2.o cr_eomccsd_t_n2_5_2_3.o cr_eomccsd_t_n2_5_3.o cr_eomccsd_t_n2_5_3_1.o offset_cr_eomccsd_t_n2_5_3_1.o cr_eomccsd_t_n2_5_3_2.o cr_eomccsd_t_n2_5_4.o cr_eomccsd_t_n2_5_4_1.o offset_cr_eomccsd_t_n2_5_4_1.o cr_eomccsd_t_n2_5_4_2.o cr_eomccsd_t_n2_5_5.o cr_eomccsd_t_n2_5_5_1.o offset_cr_eomccsd_t_n2_5_5_1.o cr_eomccsd_t_n2_5_5_2.o cr_eomccsd_t_n2_5_6.o cr_eomccsd_t_n2_6.o cr_eomccsd_t_n2_6_1.o offset_cr_eomccsd_t_n2_6_1.o cr_eomccsd_t_n2_6_2.o cr_eomccsd_t_n2_6_3.o cr_eomccsd_t_n2_6_3_1.o offset_cr_eomccsd_t_n2_6_3_1.o cr_eomccsd_t_n2_6_3_2.o cr_eomccsd_t_n2_6_4.o creomccsd_t_n2_mem.o q3rexpt2_6dts.o creomccsd_t_n2_mem_6dts.o cr_eomccsd_t_6dts.o cr_ccsd_t_N_6dts.o cr_ccsd_t_E_6dts.o cr_eomccsd_t_6dts_d4d5_parallel.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cr-eomccsd_t' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cr-eomccsd_t' Making all in lrh make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lrh' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lrh' Compiling tce_loc_j1.F... Compiling tce_loc_j2.F... tce_loc_j2.F:104:72: 104 | ih4alpha=int_mb(k_offset+h4alpha-1)+h4 | ^ Warning: 'h4alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:49:21: 49 | integer h4alpha | ^ note: 'h4alpha' was declared here tce_loc_j2.F:103:72: 103 | ip2alpha=int_mb(k_offset+p2alpha-1)+p2 | ^ Warning: 'p2alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:48:21: 48 | integer p2alpha | ^ note: 'p2alpha' was declared here tce_loc_j2.F:102:43: 102 | if(restricted.and.(spin_sum.eq.6)) then | ^ Warning: 'spin_sum' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:47:22: 47 | integer spin_sum,spin_suml | ^ note: 'spin_sum' was declared here tce_loc_j2.F:159:41: 159 | 1 (ih4alpha.eq.iha3).or.(ih4alpha.eq.iha4)) THEN | ^ Warning: 'ih4alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:51:22: 51 | integer ih4alpha | ^ note: 'ih4alpha' was declared here tce_loc_j2.F:159:41: 159 | 1 (ih4alpha.eq.iha3).or.(ih4alpha.eq.iha4)) THEN | ^ Warning: 'ip2alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:50:22: 50 | integer ip2alpha | ^ note: 'ip2alpha' was declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lrh' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lrh' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a tce_loc_j1.o tce_loc_j2.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lrh' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lrh' Making all in emb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/emb' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/emb' Compiling c1v.F... Compiling c2vt1_s.F... Compiling emb1.F... Compiling emb2.F... emb1.F:288:72: 288 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right1' may be used uninitialized [-Wmaybe-uninitialized] emb1.F:80:22: 80 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here emb1.F:303:72: 303 | &l_i2_offset_3,l_i2_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right2' is used uninitialized [-Wuninitialized] emb1.F:81:22: 81 | integer k_right2,l_right2 !M3(T1,T2,X1,X2) | ^ note: 'k_right2' declared here emb1.F:312:72: 312 | &l_i3_offset_1,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den' is used uninitialized [-Wuninitialized] emb1.F:79:19: 79 | integer k_den,l_den | ^ note: 'k_den' declared here emb1.F:308:72: 308 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den0' may be used uninitialized [-Wmaybe-uninitialized] emb1.F:89:20: 89 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here emb1.F:321:72: 321 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c2vs' is used uninitialized [-Wuninitialized] emb1.F:126:20: 126 | integer k_c2vs,k_c2ve,k_c2fs,k_c2fe | ^ note: 'k_c2vs' declared here emb1.F:336:72: 336 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c1v' is used uninitialized [-Wuninitialized] emb1.F:128:25: 128 | integer l_c1v,k_c1v | ^ note: 'k_c1v' declared here emb2.F:295:72: 295 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right1' may be used uninitialized [-Wmaybe-uninitialized] emb2.F:82:22: 82 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here emb2.F:308:72: 308 | &t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right2' is used uninitialized [-Wuninitialized] emb2.F:83:22: 83 | integer k_right2,l_right2 !M3(T1,T2,X1,X2) | ^ note: 'k_right2' declared here emb2.F:317:72: 317 | &l_i3_offset_1,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den' is used uninitialized [-Wuninitialized] emb2.F:81:19: 81 | integer k_den,l_den | ^ note: 'k_den' declared here emb2.F:313:72: 313 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den0' may be used uninitialized [-Wmaybe-uninitialized] emb2.F:92:20: 92 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here emb2.F:326:72: 326 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c2vs' is used uninitialized [-Wuninitialized] emb2.F:129:20: 129 | integer k_c2vs,k_c2ve,k_c2fs,k_c2fe | ^ note: 'k_c2vs' declared here emb2.F:341:72: 341 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c1v' is used uninitialized [-Wuninitialized] emb2.F:131:25: 131 | integer l_c1v,k_c1v | ^ note: 'k_c1v' declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/emb' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/emb' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a c1v.o c2vt1_s.o emb1.o emb2.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/emb' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/emb' Making all in ccd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccd' Compiling ccd_e.F... Compiling ccd_t2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a ccd_e.o ccd_t2.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccd' Making all in lccd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lccd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lccd' Compiling lccd_e.F... Compiling lccd_t2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lccd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lccd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a lccd_e.o lccd_t2.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lccd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lccd' Making all in lccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lccsd' Compiling lccsd_e.F... Compiling lccsd_t1.F... Compiling lccsd_t2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lccsd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a lccsd_e.o lccsd_t1.o lccsd_t2.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lccsd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lccsd' Making all in qcisd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/qcisd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/qcisd' Compiling qcisd_e.F... Compiling qcisd_t1.F... Compiling qcisd_t2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/qcisd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/qcisd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a qcisd_e.o qcisd_t1.o qcisd_t2.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/qcisd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/qcisd' Making all in cc3 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cc3' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cc3' Compiling cc3_t3.F... Compiling ccsdt1b_t3.F... Compiling ccsdt2_t3.F... Compiling ccsdt3_t3.F... Compiling eomccsdt1_x3.F... Compiling eomcc3_x3.F... Compiling eomccsdt3_x3.F... Compiling cc3_lambda3.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cc3' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cc3' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a cc3_t3.o ccsdt1b_t3.o ccsdt2_t3.o ccsdt3_t3.o eomccsdt1_x3.o eomcc3_x3.o eomccsdt3_x3.o cc3_lambda3.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cc3' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cc3' Making all in mbpt1 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt1' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt1' Compiling mbpt1_t1.F... Compiling mbpt1_t2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt1' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt1' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a mbpt1_t1.o mbpt1_t2.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt1' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt1' Making all in mbpt2 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt2' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt2' Compiling mbpt2_e.F... Compiling mbpt2_t1.F... Compiling mbpt2_t2.F... Compiling mbpt2_t2_b.F... Compiling mbpt2_t3.F... Compiling mbpt2_t1_sd.F... Compiling mbpt2_t2_sd.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt2' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt2' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a mbpt2_e.o mbpt2_t1.o mbpt2_t2.o mbpt2_t2_b.o mbpt2_t3.o mbpt2_t1_sd.o mbpt2_t2_sd.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt2' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt2' Making all in mbpt3 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt3' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt3' Compiling mbpt3_e.F... Compiling mbpt3_t1.F... Compiling mbpt3_t2.F... Compiling mbpt3_t1_sd.F... Compiling mbpt3_t2_sd.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt3' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt3' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a mbpt3_e.o mbpt3_t1.o mbpt3_t2.o mbpt3_t1_sd.o mbpt3_t2_sd.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt3' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt3' Making all in mbpt4 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt4' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt4' Compiling mbpt4_e.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt4' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt4' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a mbpt4_e.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt4' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt4' Making all in cis make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cis' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cis' Compiling cis.F... Compiling cis_x1.F... Compiling cis_xdiagon.F... Compiling cis_xtidy.F... Compiling cis_xguess.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cis' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cis' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a cis.o cis_x1.o cis_xdiagon.o cis_xtidy.o cis_xguess.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cis' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cis' Making all in cisd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisd' Compiling cisd_e.F... Compiling cisd_c1.F... Compiling cisd_c2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a cisd_e.o cisd_c1.o cisd_c2.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisd' Making all in cisdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisdt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisdt' Compiling cisdt_e.F... Compiling cisdt_c1.F... Compiling cisdt_c2.F... Compiling cisdt_c3.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisdt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisdt' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a cisdt_e.o cisdt_c1.o cisdt_c2.o cisdt_c3.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisdt' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisdt' Making all in cisdtq make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisdtq' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisdtq' Compiling cisdtq_e.F... Compiling cisdtq_c1.F... Compiling cisdtq_c2.F... Compiling cisdtq_c3.F... Compiling cisdtq_c4.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisdtq' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisdtq' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a cisdtq_e.o cisdtq_c1.o cisdtq_c2.o cisdtq_c3.o cisdtq_c4.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisdtq' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisdtq' Making all in ccsd_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_act' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_act' Compiling ccsd_ea.F... Compiling ccsd_t1a.F... Compiling ccsd_t2a.F... Compiling activity.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_act' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_act' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a ccsd_ea.o ccsd_t1a.o ccsd_t2a.o activity.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_act' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_act' Making all in eomccsd_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsd_act' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsd_act' Compiling eomccsd_x1a.F... Compiling eomccsd_x2a.F... Compiling q2na_hc1.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsd_act' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsd_act' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a eomccsd_x1a.o eomccsd_x2a.o q2na_hc1.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsd_act' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsd_act' Making all in cr_eomccsd_t_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cr_eomccsd_t_act' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cr_eomccsd_t_act' Compiling cr_ccsd_t_E_act.F... Compiling cr_eomccsd_t_act.F... cr_eomccsd_t_act.F:253:72: 253 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t_act.F:84:21: 84 | integer k_right,l_right | ^ note: 'k_right' declared here cr_eomccsd_t_act.F:267:72: 267 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t_act.F:86:20: 86 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling q3rexpt2_act.F... Compiling cr_ccsd_t_N_act.F... Compiling creomccsd_t_n2_act_mem.F... Compiling cr_eomccsd_tasim.F... cr_eomccsd_tasim.F:261:72: 261 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_tasim.F:84:21: 84 | integer k_right,l_right | ^ note: 'k_right' declared here cr_eomccsd_tasim.F:267:72: 267 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_tasim.F:86:20: 86 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling cr_eomt_simac.F... Compiling ccsd_t_d_act.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cr_eomccsd_t_act' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cr_eomccsd_t_act' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a cr_ccsd_t_E_act.o cr_eomccsd_t_act.o q3rexpt2_act.o cr_ccsd_t_N_act.o creomccsd_t_n2_act_mem.o cr_eomccsd_tasim.o cr_eomt_simac.o ccsd_t_d_act.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cr_eomccsd_t_act' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cr_eomccsd_t_act' Making all in sort make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/sort' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/sort' Compiling tce_sort_4kg.c... Compiling tce_sort0.F... Compiling tce_sortacc0.f... Compiling new_sort2.F... Compiling new_sort4.F... Compiling new_sort6.F... Compiling tce_sort8.F... Compiling tce_sortacc8.F... Compiling tce_sort1.f... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/sort' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/sort' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a tce_sort_4kg.o tce_sort0.o tce_sortacc0.o new_sort2.o new_sort4.o new_sort6.o tce_sort8.o tce_sortacc8.o tce_sort1.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/sort' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/sort' Making all in ducc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ducc' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ducc' gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT map_hcore.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT rot_vir.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT ducc.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hh.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hp.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT pp.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hhhh.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT pppp.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hhhp.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT ppph.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hhpp.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hphp.F make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ducc' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ducc' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a map_hcore.o rot_vir.o ducc.o hh.o hp.o pp.o hhhh.o pppp.o hhhp.o ppph.o hhpp.o hphp.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ducc' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ducc' Making all in ucc4 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ucc4' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ucc4' Compiling ucc4_e_new.F... Compiling ucc4_t1_new.F... Compiling ucc4_t2.F... Compiling ucc4_t2_t2_v_t.F... Compiling ucc4_t3.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ucc4' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ucc4' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a ucc4_e_new.o ucc4_t1_new.o ucc4_t2.o ucc4_t2_t2_v_t.o ucc4_t3.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ucc4' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ucc4' Making all in eaccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eaccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eaccsd' Compiling eaccsd_x1.F... Compiling eaccsd_x2.F... Compiling tce_print_eax1.F... Compiling tce_print_eax2.F... Compiling tce_eax1_offset.F... Compiling tce_eax2_offset.F... Compiling tce_eom_eaxguess.F... Compiling tce_jacobi_eax1.F... Compiling tce_jacobi_eax2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eaccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eaccsd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a eaccsd_x1.o eaccsd_x2.o tce_print_eax1.o tce_print_eax2.o tce_eax1_offset.o tce_eax2_offset.o tce_eom_eaxguess.o tce_jacobi_eax1.o tce_jacobi_eax2.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eaccsd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eaccsd' Making all in ipccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ipccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ipccsd' Compiling ipccsd_x1.F... Compiling ipccsd_x2.F... Compiling tce_print_ipx1.F... Compiling tce_print_ipx2.F... Compiling tce_ipx1_offset.F... Compiling tce_ipx2_offset.F... Compiling tce_eom_ipxguess.F... Compiling tce_jacobi_ipx1.F... Compiling tce_jacobi_ipx2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ipccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ipccsd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a ipccsd_x1.o ipccsd_x2.o tce_print_ipx1.o tce_print_ipx2.o tce_ipx1_offset.o tce_ipx2_offset.o tce_eom_ipxguess.o tce_jacobi_ipx1.o tce_jacobi_ipx2.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ipccsd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ipccsd' Making all in ccsdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsdt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsdt' Compiling ccsdt_e.F... Compiling ccsdt_t1.F... Compiling ccsdt_t2.F... Compiling ccsdt_t3.F... Compiling ccsdt_t1a.F... Compiling ccsdt_t2a.F... Compiling ccsdt_t3a.F... Compiling ccsdt_t3_1.F... Compiling ccsdt_t3_1_1.F... Compiling OFFSET_ccsdt_t3_1_1.F... Compiling ccsdt_t3_1_2.F... Compiling ccsdt_t3_1_2_1.F... Compiling OFFSET_ccsdt_t3_1_2_1.F... Compiling ccsdt_t3_1_2_2.F... Compiling ccsdt_t3_1_2_2_1.F... Compiling OFFSET_ccsdt_t3_1_2_2_1.F... Compiling ccsdt_t3_1_2_2_2.F... Compiling ccsdt_t3_1_2_3.F... Compiling ccsdt_t3_1_3.F... Compiling ccsdt_t3_1_3_1.F... Compiling OFFSET_ccsdt_t3_1_3_1.F... Compiling ccsdt_t3_1_3_2.F... Compiling ccsdt_t3_1_4.F... Compiling ccsdt_t3_1_4_1.F... Compiling OFFSET_ccsdt_t3_1_4_1.F... Compiling ccsdt_t3_1_4_2.F... Compiling ccsdt_t3_1_5.F... Compiling ccsdt_t3_1_5_1.F... Compiling OFFSET_ccsdt_t3_1_5_1.F... Compiling ccsdt_t3_1_5_2.F... Compiling ccsdt_t3_1_6.F... Compiling ccsdt_t3_1_7.F... Compiling ccsdt_t3_2.F... Compiling ccsdt_t3_2_1.F... Compiling OFFSET_ccsdt_t3_2_1.F... Compiling ccsdt_t3_2_2.F... Compiling ccsdt_t3_2_3.F... Compiling ccsdt_t3_2_3_1.F... Compiling OFFSET_ccsdt_t3_2_3_1.F... Compiling ccsdt_t3_2_3_2.F... Compiling ccsdt_t3_2_4.F... Compiling ccsdt_t3_2_5.F... Compiling ccsdt_t3_3.F... Compiling ccsdt_t3_3_1.F... Compiling OFFSET_ccsdt_t3_3_1.F... Compiling ccsdt_t3_3_2.F... Compiling ccsdt_t3_3_2_1.F... Compiling OFFSET_ccsdt_t3_3_2_1.F... Compiling ccsdt_t3_3_2_2.F... Compiling ccsdt_t3_3_3.F... Compiling ccsdt_t3_3_4.F... Compiling ccsdt_t3_4.F... Compiling ccsdt_t3_4_1.F... Compiling OFFSET_ccsdt_t3_4_1.F... Compiling ccsdt_t3_4_2.F... Compiling ccsdt_t3_4_3.F... Compiling ccsdt_t3_5.F... Compiling ccsdt_t3_5_1.F... Compiling OFFSET_ccsdt_t3_5_1.F... Compiling ccsdt_t3_5_2.F... Compiling ccsdt_t3_5_2_1.F... Compiling OFFSET_ccsdt_t3_5_2_1.F... Compiling ccsdt_t3_5_2_2.F... Compiling ccsdt_t3_5_3.F... Compiling ccsdt_t3_6.F... Compiling ccsdt_t3_6_1.F... Compiling OFFSET_ccsdt_t3_6_1.F... Compiling ccsdt_t3_6_2.F... Compiling ccsdt_t3_6_3.F... Compiling ccsdt_t3_7.F... Compiling ccsdt_t3_8.F... Compiling ccsdt_t3_8_1.F... Compiling OFFSET_ccsdt_t3_8_1.F... Compiling ccsdt_t3_8_1_1.F... Compiling OFFSET_ccsdt_t3_8_1_1.F... Compiling ccsdt_t3_8_1_2.F... Compiling ccsdt_t3_8_1_2_1.F... Compiling OFFSET_ccsdt_t3_8_1_2_1.F... Compiling ccsdt_t3_8_1_2_2.F... Compiling ccsdt_t3_8_1_3.F... Compiling ccsdt_t3_8_1_4.F... Compiling ccsdt_t3_8_2.F... Compiling ccsdt_t3_8_2_1.F... Compiling OFFSET_ccsdt_t3_8_2_1.F... Compiling ccsdt_t3_8_2_2.F... Compiling ccsdt_t3_8_3.F... Compiling ccsdt_t3_8_3_1.F... Compiling OFFSET_ccsdt_t3_8_3_1.F... Compiling ccsdt_t3_8_3_2.F... Compiling ccsdt_t3_8_4.F... Compiling ccsdt_t3_8_5.F... Compiling ccsdt_t3_8_5_1.F... Compiling OFFSET_ccsdt_t3_8_5_1.F... Compiling ccsdt_t3_9.F... Compiling ccsdt_t3_9_1.F... Compiling OFFSET_ccsdt_t3_9_1.F... Compiling ccsdt_t3a_1.F... Compiling ccsdt_t3a_1_1.F... Compiling OFFSET_ccsdt_t3a_1_1.F... Compiling ccsdt_t3a_1_2.F... Compiling ccsdt_t3a_1_2_1.F... Compiling OFFSET_ccsdt_t3a_1_2_1.F... Compiling ccsdt_t3a_1_2_2.F... Compiling ccsdt_t3a_1_2_2_1.F... Compiling OFFSET_ccsdt_t3a_1_2_2_1.F... Compiling ccsdt_t3a_1_2_2_2.F... Compiling ccsdt_t3a_1_2_3.F... Compiling ccsdt_t3a_1_3.F... Compiling ccsdt_t3a_1_3_1.F... Compiling OFFSET_ccsdt_t3a_1_3_1.F... Compiling ccsdt_t3a_1_3_2.F... Compiling ccsdt_t3a_1_4.F... Compiling ccsdt_t3a_1_4_1.F... Compiling OFFSET_ccsdt_t3a_1_4_1.F... Compiling ccsdt_t3a_1_4_2.F... Compiling ccsdt_t3a_1_5.F... Compiling ccsdt_t3a_1_5_1.F... Compiling OFFSET_ccsdt_t3a_1_5_1.F... Compiling ccsdt_t3a_1_5_2.F... Compiling ccsdt_t3a_1_6.F... Compiling ccsdt_t3a_1_7.F... Compiling ccsdt_t3a_2.F... Compiling ccsdt_t3a_2_1.F... Compiling OFFSET_ccsdt_t3a_2_1.F... Compiling ccsdt_t3a_2_2.F... Compiling ccsdt_t3a_2_3.F... Compiling ccsdt_t3a_2_3_1.F... Compiling OFFSET_ccsdt_t3a_2_3_1.F... Compiling ccsdt_t3a_2_3_2.F... Compiling ccsdt_t3a_2_4.F... Compiling ccsdt_t3a_2_5.F... Compiling ccsdt_t3a_3.F... Compiling ccsdt_t3a_3_1.F... Compiling OFFSET_ccsdt_t3a_3_1.F... Compiling ccsdt_t3a_3_2.F... Compiling ccsdt_t3a_3_2_1.F... Compiling OFFSET_ccsdt_t3a_3_2_1.F... Compiling ccsdt_t3a_3_2_2.F... Compiling ccsdt_t3a_3_3.F... Compiling ccsdt_t3a_3_4.F... Compiling ccsdt_t3a_4.F... Compiling ccsdt_t3a_4_1.F... Compiling OFFSET_ccsdt_t3a_4_1.F... Compiling ccsdt_t3a_4_2.F... Compiling ccsdt_t3a_4_3.F... Compiling ccsdt_t3a_5.F... Compiling ccsdt_t3a_5_1.F... Compiling OFFSET_ccsdt_t3a_5_1.F... Compiling ccsdt_t3a_5_2.F... Compiling ccsdt_t3a_5_2_1.F... Compiling OFFSET_ccsdt_t3a_5_2_1.F... Compiling ccsdt_t3a_5_2_2.F... Compiling ccsdt_t3a_5_3.F... Compiling ccsdt_t3a_6.F... Compiling ccsdt_t3a_6_1.F... Compiling OFFSET_ccsdt_t3a_6_1.F... Compiling ccsdt_t3a_6_2.F... Compiling ccsdt_t3a_6_3.F... Compiling ccsdt_t3a_7.F... Compiling ccsdt_t3a_8.F... Compiling ccsdt_t3a_8_1.F... Compiling OFFSET_ccsdt_t3a_8_1.F... Compiling ccsdt_t3a_8_1_1.F... Compiling OFFSET_ccsdt_t3a_8_1_1.F... Compiling ccsdt_t3a_8_1_2.F... Compiling ccsdt_t3a_8_1_2_1.F... Compiling OFFSET_ccsdt_t3a_8_1_2_1.F... Compiling ccsdt_t3a_8_1_2_2.F... Compiling ccsdt_t3a_8_1_3.F... Compiling ccsdt_t3a_8_1_4.F... Compiling ccsdt_t3a_8_2.F... Compiling ccsdt_t3a_8_2_1.F... Compiling OFFSET_ccsdt_t3a_8_2_1.F... Compiling ccsdt_t3a_8_2_2.F... Compiling ccsdt_t3a_8_3.F... Compiling ccsdt_t3a_8_3_1.F... Compiling OFFSET_ccsdt_t3a_8_3_1.F... Compiling ccsdt_t3a_8_3_2.F... Compiling ccsdt_t3a_8_4.F... Compiling ccsdt_t3a_8_5.F... Compiling ccsdt_t3a_8_5_1.F... Compiling OFFSET_ccsdt_t3a_8_5_1.F... Compiling ccsdt_t3a_9.F... Compiling ccsdt_t3a_9_1.F... Compiling OFFSET_ccsdt_t3a_9_1.F... Compiling acolo.F... Compiling acolo_o.F... Compiling acolo_o_1p.F... Compiling acolo_o_2p.F... Compiling acolo_1p_2h.F... Compiling acolo_2h.F... Compiling acolo_1h.F... Compiling acolo_1p_1h.F... Compiling acolo_2p_1h.F... Compiling acolo_1p.F... Compiling acolo_1a_2h.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsdt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsdt' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a ccsdt_e.o ccsdt_t1.o ccsdt_t2.o ccsdt_t3.o ccsdt_t1a.o ccsdt_t2a.o ccsdt_t3a.o ccsdt_t3_1.o ccsdt_t3_1_1.o OFFSET_ccsdt_t3_1_1.o ccsdt_t3_1_2.o ccsdt_t3_1_2_1.o OFFSET_ccsdt_t3_1_2_1.o ccsdt_t3_1_2_2.o ccsdt_t3_1_2_2_1.o OFFSET_ccsdt_t3_1_2_2_1.o ccsdt_t3_1_2_2_2.o ccsdt_t3_1_2_3.o ccsdt_t3_1_3.o ccsdt_t3_1_3_1.o OFFSET_ccsdt_t3_1_3_1.o ccsdt_t3_1_3_2.o ccsdt_t3_1_4.o ccsdt_t3_1_4_1.o OFFSET_ccsdt_t3_1_4_1.o ccsdt_t3_1_4_2.o ccsdt_t3_1_5.o ccsdt_t3_1_5_1.o OFFSET_ccsdt_t3_1_5_1.o ccsdt_t3_1_5_2.o ccsdt_t3_1_6.o ccsdt_t3_1_7.o ccsdt_t3_2.o ccsdt_t3_2_1.o OFFSET_ccsdt_t3_2_1.o ccsdt_t3_2_2.o ccsdt_t3_2_3.o ccsdt_t3_2_3_1.o OFFSET_ccsdt_t3_2_3_1.o ccsdt_t3_2_3_2.o ccsdt_t3_2_4.o ccsdt_t3_2_5.o ccsdt_t3_3.o ccsdt_t3_3_1.o OFFSET_ccsdt_t3_3_1.o ccsdt_t3_3_2.o ccsdt_t3_3_2_1.o OFFSET_ccsdt_t3_3_2_1.o ccsdt_t3_3_2_2.o ccsdt_t3_3_3.o ccsdt_t3_3_4.o ccsdt_t3_4.o ccsdt_t3_4_1.o OFFSET_ccsdt_t3_4_1.o ccsdt_t3_4_2.o ccsdt_t3_4_3.o ccsdt_t3_5.o ccsdt_t3_5_1.o OFFSET_ccsdt_t3_5_1.o ccsdt_t3_5_2.o ccsdt_t3_5_2_1.o OFFSET_ccsdt_t3_5_2_1.o ccsdt_t3_5_2_2.o ccsdt_t3_5_3.o ccsdt_t3_6.o ccsdt_t3_6_1.o OFFSET_ccsdt_t3_6_1.o ccsdt_t3_6_2.o ccsdt_t3_6_3.o ccsdt_t3_7.o ccsdt_t3_8.o ccsdt_t3_8_1.o OFFSET_ccsdt_t3_8_1.o ccsdt_t3_8_1_1.o OFFSET_ccsdt_t3_8_1_1.o ccsdt_t3_8_1_2.o ccsdt_t3_8_1_2_1.o OFFSET_ccsdt_t3_8_1_2_1.o ccsdt_t3_8_1_2_2.o ccsdt_t3_8_1_3.o ccsdt_t3_8_1_4.o ccsdt_t3_8_2.o ccsdt_t3_8_2_1.o OFFSET_ccsdt_t3_8_2_1.o ccsdt_t3_8_2_2.o ccsdt_t3_8_3.o ccsdt_t3_8_3_1.o OFFSET_ccsdt_t3_8_3_1.o ccsdt_t3_8_3_2.o ccsdt_t3_8_4.o ccsdt_t3_8_5.o ccsdt_t3_8_5_1.o OFFSET_ccsdt_t3_8_5_1.o ccsdt_t3_9.o ccsdt_t3_9_1.o OFFSET_ccsdt_t3_9_1.o ccsdt_t3a_1.o ccsdt_t3a_1_1.o OFFSET_ccsdt_t3a_1_1.o ccsdt_t3a_1_2.o ccsdt_t3a_1_2_1.o OFFSET_ccsdt_t3a_1_2_1.o ccsdt_t3a_1_2_2.o ccsdt_t3a_1_2_2_1.o OFFSET_ccsdt_t3a_1_2_2_1.o ccsdt_t3a_1_2_2_2.o ccsdt_t3a_1_2_3.o ccsdt_t3a_1_3.o ccsdt_t3a_1_3_1.o OFFSET_ccsdt_t3a_1_3_1.o ccsdt_t3a_1_3_2.o ccsdt_t3a_1_4.o ccsdt_t3a_1_4_1.o OFFSET_ccsdt_t3a_1_4_1.o ccsdt_t3a_1_4_2.o ccsdt_t3a_1_5.o ccsdt_t3a_1_5_1.o OFFSET_ccsdt_t3a_1_5_1.o ccsdt_t3a_1_5_2.o ccsdt_t3a_1_6.o ccsdt_t3a_1_7.o ccsdt_t3a_2.o ccsdt_t3a_2_1.o OFFSET_ccsdt_t3a_2_1.o ccsdt_t3a_2_2.o ccsdt_t3a_2_3.o ccsdt_t3a_2_3_1.o OFFSET_ccsdt_t3a_2_3_1.o ccsdt_t3a_2_3_2.o ccsdt_t3a_2_4.o ccsdt_t3a_2_5.o ccsdt_t3a_3.o ccsdt_t3a_3_1.o OFFSET_ccsdt_t3a_3_1.o ccsdt_t3a_3_2.o ccsdt_t3a_3_2_1.o OFFSET_ccsdt_t3a_3_2_1.o ccsdt_t3a_3_2_2.o ccsdt_t3a_3_3.o ccsdt_t3a_3_4.o ccsdt_t3a_4.o ccsdt_t3a_4_1.o OFFSET_ccsdt_t3a_4_1.o ccsdt_t3a_4_2.o ccsdt_t3a_4_3.o ccsdt_t3a_5.o ccsdt_t3a_5_1.o OFFSET_ccsdt_t3a_5_1.o ccsdt_t3a_5_2.o ccsdt_t3a_5_2_1.o OFFSET_ccsdt_t3a_5_2_1.o ccsdt_t3a_5_2_2.o ccsdt_t3a_5_3.o ccsdt_t3a_6.o ccsdt_t3a_6_1.o OFFSET_ccsdt_t3a_6_1.o ccsdt_t3a_6_2.o ccsdt_t3a_6_3.o ccsdt_t3a_7.o ccsdt_t3a_8.o ccsdt_t3a_8_1.o OFFSET_ccsdt_t3a_8_1.o ccsdt_t3a_8_1_1.o OFFSET_ccsdt_t3a_8_1_1.o ccsdt_t3a_8_1_2.o ccsdt_t3a_8_1_2_1.o OFFSET_ccsdt_t3a_8_1_2_1.o ccsdt_t3a_8_1_2_2.o ccsdt_t3a_8_1_3.o ccsdt_t3a_8_1_4.o ccsdt_t3a_8_2.o ccsdt_t3a_8_2_1.o OFFSET_ccsdt_t3a_8_2_1.o ccsdt_t3a_8_2_2.o ccsdt_t3a_8_3.o ccsdt_t3a_8_3_1.o OFFSET_ccsdt_t3a_8_3_1.o ccsdt_t3a_8_3_2.o ccsdt_t3a_8_4.o ccsdt_t3a_8_5.o ccsdt_t3a_8_5_1.o OFFSET_ccsdt_t3a_8_5_1.o ccsdt_t3a_9.o ccsdt_t3a_9_1.o OFFSET_ccsdt_t3a_9_1.o acolo.o acolo_o.o acolo_o_1p.o acolo_o_2p.o acolo_1p_2h.o acolo_2h.o acolo_1h.o acolo_1p_1h.o acolo_2p_1h.o acolo_1p.o acolo_1a_2h.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsdt' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsdt' Making all in ccsdt_lambda make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsdt_lambda' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsdt_lambda' Compiling ccsdt_lambda3.F... Compiling ccsdt_density1.F... Compiling ccsdt_lambda1.F... Compiling ccsdt_lambda1_1.F... Compiling ccsdt_lambda1_2.F... Compiling ccsdt_lambda1_2_1.F... Compiling OFFSET_ccsdt_lambda1_2_1.F... Compiling ccsdt_lambda1_2_2.F... Compiling ccsdt_lambda1_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_2_2_1.F... Compiling ccsdt_lambda1_2_2_2.F... Compiling ccsdt_lambda1_2_3.F... Compiling ccsdt_lambda1_2_4.F... Compiling ccsdt_lambda1_3.F... Compiling ccsdt_lambda1_3_1.F... Compiling OFFSET_ccsdt_lambda1_3_1.F... Compiling ccsdt_lambda1_3_2.F... Compiling ccsdt_lambda1_3_3.F... Compiling ccsdt_lambda1_3_3_1.F... Compiling OFFSET_ccsdt_lambda1_3_3_1.F... Compiling ccsdt_lambda1_4.F... Compiling ccsdt_lambda1_5.F... Compiling ccsdt_lambda1_5_1.F... Compiling OFFSET_ccsdt_lambda1_5_1.F... Compiling ccsdt_lambda1_5_2.F... Compiling ccsdt_lambda1_5_2_1.F... Compiling OFFSET_ccsdt_lambda1_5_2_1.F... Compiling ccsdt_lambda1_5_2_2.F... Compiling ccsdt_lambda1_5_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_5_2_2_1.F... Compiling ccsdt_lambda1_5_2_2_2.F... Compiling ccsdt_lambda1_5_2_3.F... Compiling ccsdt_lambda1_5_2_4.F... Compiling ccsdt_lambda1_5_3.F... Compiling ccsdt_lambda1_5_3_1.F... Compiling OFFSET_ccsdt_lambda1_5_3_1.F... Compiling ccsdt_lambda1_5_3_2.F... Compiling ccsdt_lambda1_5_4.F... Compiling ccsdt_lambda1_5_5.F... Compiling ccsdt_lambda1_5_5_1.F... Compiling OFFSET_ccsdt_lambda1_5_5_1.F... Compiling ccsdt_lambda1_5_5_2.F... Compiling ccsdt_lambda1_5_6.F... Compiling ccsdt_lambda1_5_6_1.F... Compiling OFFSET_ccsdt_lambda1_5_6_1.F... Compiling ccsdt_lambda1_5_6_2.F... Compiling ccsdt_lambda1_5_7.F... Compiling ccsdt_lambda1_5_8.F... Compiling ccsdt_lambda1_6.F... Compiling ccsdt_lambda1_6_1.F... Compiling OFFSET_ccsdt_lambda1_6_1.F... Compiling ccsdt_lambda1_6_2.F... Compiling ccsdt_lambda1_6_2_1.F... Compiling OFFSET_ccsdt_lambda1_6_2_1.F... Compiling ccsdt_lambda1_6_2_2.F... Compiling ccsdt_lambda1_6_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_6_2_2_1.F... Compiling ccsdt_lambda1_6_2_2_2.F... Compiling ccsdt_lambda1_6_2_3.F... Compiling ccsdt_lambda1_6_3.F... Compiling ccsdt_lambda1_6_3_1.F... Compiling OFFSET_ccsdt_lambda1_6_3_1.F... Compiling ccsdt_lambda1_6_3_2.F... Compiling ccsdt_lambda1_6_4.F... Compiling ccsdt_lambda1_6_4_1.F... Compiling OFFSET_ccsdt_lambda1_6_4_1.F... Compiling ccsdt_lambda1_6_4_2.F... Compiling ccsdt_lambda1_6_5.F... Compiling ccsdt_lambda1_6_5_1.F... Compiling OFFSET_ccsdt_lambda1_6_5_1.F... Compiling ccsdt_lambda1_6_5_2.F... Compiling ccsdt_lambda1_6_6.F... Compiling ccsdt_lambda1_6_7.F... Compiling ccsdt_lambda1_7.F... Compiling ccsdt_lambda1_7_1.F... Compiling OFFSET_ccsdt_lambda1_7_1.F... Compiling ccsdt_lambda1_7_2.F... Compiling ccsdt_lambda1_8.F... Compiling ccsdt_lambda1_8_1.F... Compiling OFFSET_ccsdt_lambda1_8_1.F... Compiling ccsdt_lambda1_8_2.F... Compiling ccsdt_lambda1_8_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_1.F... Compiling ccsdt_lambda1_8_2_2.F... Compiling ccsdt_lambda1_8_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_2_1.F... Compiling ccsdt_lambda1_8_2_2_2.F... Compiling ccsdt_lambda1_8_2_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_2_2_1.F... Compiling ccsdt_lambda1_8_2_2_2_2.F... Compiling ccsdt_lambda1_8_2_2_3.F... Compiling ccsdt_lambda1_8_2_3.F... Compiling ccsdt_lambda1_8_2_3_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_3_1.F... Compiling ccsdt_lambda1_8_2_3_2.F... Compiling ccsdt_lambda1_8_2_4.F... Compiling ccsdt_lambda1_8_2_5.F... Compiling ccsdt_lambda1_8_2_5_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_5_1.F... Compiling ccsdt_lambda1_8_3.F... Compiling ccsdt_lambda1_8_3_1.F... Compiling OFFSET_ccsdt_lambda1_8_3_1.F... Compiling ccsdt_lambda1_8_3_2.F... Compiling ccsdt_lambda1_8_4.F... Compiling ccsdt_lambda1_8_4_1.F... Compiling OFFSET_ccsdt_lambda1_8_4_1.F... Compiling ccsdt_lambda1_8_4_2.F... Compiling ccsdt_lambda1_8_4_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_4_2_1.F... Compiling ccsdt_lambda1_8_5.F... Compiling ccsdt_lambda1_8_5_1.F... Compiling OFFSET_ccsdt_lambda1_8_5_1.F... Compiling ccsdt_lambda1_8_5_2.F... Compiling ccsdt_lambda1_8_5_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_5_2_1.F... Compiling ccsdt_lambda1_8_6.F... Compiling ccsdt_lambda1_8_6_1.F... Compiling OFFSET_ccsdt_lambda1_8_6_1.F... Compiling ccsdt_lambda1_8_6_2.F... Compiling ccsdt_lambda1_8_6_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_6_2_1.F... Compiling ccsdt_lambda1_8_6_2_2.F... Compiling ccsdt_lambda1_8_6_3.F... Compiling ccsdt_lambda1_8_7.F... Compiling ccsdt_lambda1_8_7_1.F... Compiling OFFSET_ccsdt_lambda1_8_7_1.F... Compiling ccsdt_lambda1_8_7_2.F... Compiling ccsdt_lambda1_8_7_3.F... Compiling ccsdt_lambda1_8_8.F... Compiling ccsdt_lambda1_8_9.F... Compiling ccsdt_lambda1_8_9_1.F... Compiling OFFSET_ccsdt_lambda1_8_9_1.F... Compiling ccsdt_lambda1_8_9_2.F... Compiling ccsdt_lambda1_8_10.F... Compiling ccsdt_lambda1_8_10_1.F... Compiling OFFSET_ccsdt_lambda1_8_10_1.F... Compiling ccsdt_lambda1_8_10_2.F... Compiling ccsdt_lambda1_8_11.F... Compiling ccsdt_lambda1_8_12.F... Compiling ccsdt_lambda1_8_12_1.F... Compiling OFFSET_ccsdt_lambda1_8_12_1.F... Compiling ccsdt_lambda1_8_12_2.F... Compiling ccsdt_lambda1_8_12_3.F... Compiling ccsdt_lambda1_8_13.F... Compiling ccsdt_lambda1_8_13_1.F... Compiling OFFSET_ccsdt_lambda1_8_13_1.F... Compiling ccsdt_lambda1_8_13_2.F... Compiling ccsdt_lambda1_8_13_3.F... Compiling ccsdt_lambda1_8_14.F... Compiling ccsdt_lambda1_8_14_1.F... Compiling OFFSET_ccsdt_lambda1_8_14_1.F... Compiling ccsdt_lambda1_8_14_2.F... Compiling ccsdt_lambda1_9.F... Compiling ccsdt_lambda1_9_1.F... Compiling OFFSET_ccsdt_lambda1_9_1.F... Compiling ccsdt_lambda1_9_2.F... Compiling ccsdt_lambda1_9_3.F... Compiling ccsdt_lambda1_9_4.F... Compiling ccsdt_lambda1_9_4_1.F... Compiling OFFSET_ccsdt_lambda1_9_4_1.F... Compiling ccsdt_lambda1_9_4_2.F... Compiling ccsdt_lambda1_9_4_3.F... Compiling ccsdt_lambda1_9_5.F... 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Compiling OFFSET_ccsdt_lambda2_26_2_1_1.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsdt_lambda' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsdt_lambda' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a ccsdt_lambda3.o ccsdt_density1.o ccsdt_lambda1.o ccsdt_lambda1_1.o ccsdt_lambda1_2.o ccsdt_lambda1_2_1.o OFFSET_ccsdt_lambda1_2_1.o ccsdt_lambda1_2_2.o ccsdt_lambda1_2_2_1.o OFFSET_ccsdt_lambda1_2_2_1.o ccsdt_lambda1_2_2_2.o ccsdt_lambda1_2_3.o ccsdt_lambda1_2_4.o ccsdt_lambda1_3.o ccsdt_lambda1_3_1.o OFFSET_ccsdt_lambda1_3_1.o ccsdt_lambda1_3_2.o ccsdt_lambda1_3_3.o ccsdt_lambda1_3_3_1.o OFFSET_ccsdt_lambda1_3_3_1.o ccsdt_lambda1_4.o ccsdt_lambda1_5.o ccsdt_lambda1_5_1.o OFFSET_ccsdt_lambda1_5_1.o ccsdt_lambda1_5_2.o ccsdt_lambda1_5_2_1.o OFFSET_ccsdt_lambda1_5_2_1.o ccsdt_lambda1_5_2_2.o ccsdt_lambda1_5_2_2_1.o OFFSET_ccsdt_lambda1_5_2_2_1.o ccsdt_lambda1_5_2_2_2.o ccsdt_lambda1_5_2_3.o ccsdt_lambda1_5_2_4.o ccsdt_lambda1_5_3.o ccsdt_lambda1_5_3_1.o OFFSET_ccsdt_lambda1_5_3_1.o ccsdt_lambda1_5_3_2.o ccsdt_lambda1_5_4.o ccsdt_lambda1_5_5.o ccsdt_lambda1_5_5_1.o OFFSET_ccsdt_lambda1_5_5_1.o ccsdt_lambda1_5_5_2.o ccsdt_lambda1_5_6.o ccsdt_lambda1_5_6_1.o OFFSET_ccsdt_lambda1_5_6_1.o ccsdt_lambda1_5_6_2.o ccsdt_lambda1_5_7.o ccsdt_lambda1_5_8.o ccsdt_lambda1_6.o ccsdt_lambda1_6_1.o OFFSET_ccsdt_lambda1_6_1.o ccsdt_lambda1_6_2.o ccsdt_lambda1_6_2_1.o OFFSET_ccsdt_lambda1_6_2_1.o ccsdt_lambda1_6_2_2.o ccsdt_lambda1_6_2_2_1.o OFFSET_ccsdt_lambda1_6_2_2_1.o ccsdt_lambda1_6_2_2_2.o ccsdt_lambda1_6_2_3.o ccsdt_lambda1_6_3.o ccsdt_lambda1_6_3_1.o OFFSET_ccsdt_lambda1_6_3_1.o ccsdt_lambda1_6_3_2.o ccsdt_lambda1_6_4.o ccsdt_lambda1_6_4_1.o OFFSET_ccsdt_lambda1_6_4_1.o ccsdt_lambda1_6_4_2.o ccsdt_lambda1_6_5.o ccsdt_lambda1_6_5_1.o OFFSET_ccsdt_lambda1_6_5_1.o ccsdt_lambda1_6_5_2.o ccsdt_lambda1_6_6.o ccsdt_lambda1_6_7.o ccsdt_lambda1_7.o ccsdt_lambda1_7_1.o OFFSET_ccsdt_lambda1_7_1.o ccsdt_lambda1_7_2.o ccsdt_lambda1_8.o ccsdt_lambda1_8_1.o OFFSET_ccsdt_lambda1_8_1.o ccsdt_lambda1_8_2.o ccsdt_lambda1_8_2_1.o OFFSET_ccsdt_lambda1_8_2_1.o ccsdt_lambda1_8_2_2.o ccsdt_lambda1_8_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_1.o ccsdt_lambda1_8_2_2_2.o ccsdt_lambda1_8_2_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_2_1.o ccsdt_lambda1_8_2_2_2_2.o ccsdt_lambda1_8_2_2_3.o ccsdt_lambda1_8_2_3.o ccsdt_lambda1_8_2_3_1.o OFFSET_ccsdt_lambda1_8_2_3_1.o ccsdt_lambda1_8_2_3_2.o ccsdt_lambda1_8_2_4.o ccsdt_lambda1_8_2_5.o ccsdt_lambda1_8_2_5_1.o OFFSET_ccsdt_lambda1_8_2_5_1.o ccsdt_lambda1_8_3.o ccsdt_lambda1_8_3_1.o OFFSET_ccsdt_lambda1_8_3_1.o ccsdt_lambda1_8_3_2.o ccsdt_lambda1_8_4.o ccsdt_lambda1_8_4_1.o OFFSET_ccsdt_lambda1_8_4_1.o ccsdt_lambda1_8_4_2.o ccsdt_lambda1_8_4_2_1.o OFFSET_ccsdt_lambda1_8_4_2_1.o ccsdt_lambda1_8_5.o ccsdt_lambda1_8_5_1.o OFFSET_ccsdt_lambda1_8_5_1.o ccsdt_lambda1_8_5_2.o ccsdt_lambda1_8_5_2_1.o OFFSET_ccsdt_lambda1_8_5_2_1.o ccsdt_lambda1_8_6.o ccsdt_lambda1_8_6_1.o OFFSET_ccsdt_lambda1_8_6_1.o ccsdt_lambda1_8_6_2.o ccsdt_lambda1_8_6_2_1.o OFFSET_ccsdt_lambda1_8_6_2_1.o ccsdt_lambda1_8_6_2_2.o ccsdt_lambda1_8_6_3.o ccsdt_lambda1_8_7.o ccsdt_lambda1_8_7_1.o OFFSET_ccsdt_lambda1_8_7_1.o ccsdt_lambda1_8_7_2.o ccsdt_lambda1_8_7_3.o ccsdt_lambda1_8_8.o ccsdt_lambda1_8_9.o ccsdt_lambda1_8_9_1.o OFFSET_ccsdt_lambda1_8_9_1.o ccsdt_lambda1_8_9_2.o ccsdt_lambda1_8_10.o ccsdt_lambda1_8_10_1.o OFFSET_ccsdt_lambda1_8_10_1.o ccsdt_lambda1_8_10_2.o ccsdt_lambda1_8_11.o ccsdt_lambda1_8_12.o ccsdt_lambda1_8_12_1.o OFFSET_ccsdt_lambda1_8_12_1.o ccsdt_lambda1_8_12_2.o ccsdt_lambda1_8_12_3.o ccsdt_lambda1_8_13.o ccsdt_lambda1_8_13_1.o OFFSET_ccsdt_lambda1_8_13_1.o ccsdt_lambda1_8_13_2.o ccsdt_lambda1_8_13_3.o ccsdt_lambda1_8_14.o ccsdt_lambda1_8_14_1.o OFFSET_ccsdt_lambda1_8_14_1.o ccsdt_lambda1_8_14_2.o ccsdt_lambda1_9.o ccsdt_lambda1_9_1.o OFFSET_ccsdt_lambda1_9_1.o ccsdt_lambda1_9_2.o ccsdt_lambda1_9_3.o ccsdt_lambda1_9_4.o ccsdt_lambda1_9_4_1.o OFFSET_ccsdt_lambda1_9_4_1.o ccsdt_lambda1_9_4_2.o ccsdt_lambda1_9_4_3.o ccsdt_lambda1_9_5.o ccsdt_lambda1_9_5_1.o OFFSET_ccsdt_lambda1_9_5_1.o ccsdt_lambda1_9_5_2.o ccsdt_lambda1_9_5_2_1.o OFFSET_ccsdt_lambda1_9_5_2_1.o ccsdt_lambda1_9_5_2_2.o ccsdt_lambda1_9_6.o ccsdt_lambda1_9_6_1.o OFFSET_ccsdt_lambda1_9_6_1.o ccsdt_lambda1_10.o ccsdt_lambda1_10_1.o OFFSET_ccsdt_lambda1_10_1.o ccsdt_lambda1_10_2.o ccsdt_lambda1_10_3.o ccsdt_lambda1_11.o ccsdt_lambda1_11_1.o OFFSET_ccsdt_lambda1_11_1.o ccsdt_lambda1_11_2.o ccsdt_lambda1_11_3.o ccsdt_lambda1_12.o ccsdt_lambda1_12_1.o OFFSET_ccsdt_lambda1_12_1.o ccsdt_lambda1_12_2.o ccsdt_lambda1_12_3.o ccsdt_lambda1_13.o ccsdt_lambda1_13_1.o OFFSET_ccsdt_lambda1_13_1.o ccsdt_lambda1_13_2.o ccsdt_lambda1_14.o ccsdt_lambda1_14_1.o OFFSET_ccsdt_lambda1_14_1.o ccsdt_lambda1_14_2.o ccsdt_lambda1_14_3.o ccsdt_lambda1_14_3_1.o OFFSET_ccsdt_lambda1_14_3_1.o ccsdt_lambda1_14_3_2.o ccsdt_lambda1_14_3_3.o ccsdt_lambda1_14_3_3_1.o OFFSET_ccsdt_lambda1_14_3_3_1.o ccsdt_lambda1_14_3_3_2.o ccsdt_lambda1_14_4.o ccsdt_lambda1_14_4_1.o OFFSET_ccsdt_lambda1_14_4_1.o ccsdt_lambda1_14_5.o ccsdt_lambda1_14_5_1.o OFFSET_ccsdt_lambda1_14_5_1.o ccsdt_lambda1_14_5_2.o ccsdt_lambda1_14_6.o ccsdt_lambda1_14_6_1.o OFFSET_ccsdt_lambda1_14_6_1.o ccsdt_lambda1_14_7.o ccsdt_lambda1_14_7_1.o OFFSET_ccsdt_lambda1_14_7_1.o ccsdt_lambda1_14_8.o ccsdt_lambda1_14_8_1.o OFFSET_ccsdt_lambda1_14_8_1.o ccsdt_lambda1_14_8_1_1.o OFFSET_ccsdt_lambda1_14_8_1_1.o ccsdt_lambda1_14_8_1_2.o ccsdt_lambda1_14_9.o ccsdt_lambda1_14_9_1.o OFFSET_ccsdt_lambda1_14_9_1.o ccsdt_lambda1_14_9_1_1.o OFFSET_ccsdt_lambda1_14_9_1_1.o ccsdt_lambda1_15.o ccsdt_lambda1_15_1.o OFFSET_ccsdt_lambda1_15_1.o ccsdt_lambda1_15_2.o ccsdt_lambda1_15_3.o ccsdt_lambda1_15_3_1.o OFFSET_ccsdt_lambda1_15_3_1.o ccsdt_lambda1_15_4.o ccsdt_lambda1_15_4_1.o OFFSET_ccsdt_lambda1_15_4_1.o ccsdt_lambda1_16.o ccsdt_lambda1_16_1.o OFFSET_ccsdt_lambda1_16_1.o ccsdt_lambda1_16_2.o ccsdt_lambda1_16_3.o ccsdt_lambda1_16_3_1.o OFFSET_ccsdt_lambda1_16_3_1.o ccsdt_lambda1_16_3_2.o ccsdt_lambda1_16_4.o ccsdt_lambda1_16_4_1.o OFFSET_ccsdt_lambda1_16_4_1.o ccsdt_lambda1_17.o ccsdt_lambda1_17_1.o OFFSET_ccsdt_lambda1_17_1.o ccsdt_lambda1_18.o ccsdt_lambda1_18_1.o OFFSET_ccsdt_lambda1_18_1.o ccsdt_lambda1_18_1_1.o OFFSET_ccsdt_lambda1_18_1_1.o ccsdt_lambda1_18_1_2.o ccsdt_lambda1_18_1_3.o ccsdt_lambda1_18_1_4.o ccsdt_lambda1_18_1_4_1.o OFFSET_ccsdt_lambda1_18_1_4_1.o ccsdt_lambda1_18_1_4_2.o ccsdt_lambda1_18_2.o ccsdt_lambda1_18_2_1.o OFFSET_ccsdt_lambda1_18_2_1.o ccsdt_lambda1_18_2_2.o ccsdt_lambda1_18_3.o ccsdt_lambda1_18_3_1.o OFFSET_ccsdt_lambda1_18_3_1.o ccsdt_lambda1_18_3_2.o ccsdt_lambda1_18_4.o ccsdt_lambda1_18_5.o ccsdt_lambda1_18_5_1.o OFFSET_ccsdt_lambda1_18_5_1.o ccsdt_lambda1_18_6.o ccsdt_lambda1_18_6_1.o OFFSET_ccsdt_lambda1_18_6_1.o ccsdt_lambda1_18_6_1_1.o OFFSET_ccsdt_lambda1_18_6_1_1.o ccsdt_lambda1_19.o ccsdt_lambda1_19_1.o OFFSET_ccsdt_lambda1_19_1.o ccsdt_lambda1_20.o ccsdt_lambda1_20_1.o OFFSET_ccsdt_lambda1_20_1.o ccsdt_lambda1_20_1_1.o OFFSET_ccsdt_lambda1_20_1_1.o ccsdt_lambda1_21.o ccsdt_lambda1_21_1.o OFFSET_ccsdt_lambda1_21_1.o ccsdt_lambda1_21_1_1.o OFFSET_ccsdt_lambda1_21_1_1.o ccsdt_lambda1_21_1_1_1.o OFFSET_ccsdt_lambda1_21_1_1_1.o ccsdt_lambda1_21_1_1_2.o ccsdt_lambda1_21_2.o ccsdt_lambda1_21_2_1.o OFFSET_ccsdt_lambda1_21_2_1.o ccsdt_lambda1_21_2_1_1.o OFFSET_ccsdt_lambda1_21_2_1_1.o ccsdt_lambda2.o ccsdt_lambda2_1.o ccsdt_lambda2_2.o ccsdt_lambda2_2_1.o OFFSET_ccsdt_lambda2_2_1.o ccsdt_lambda2_2_2.o ccsdt_lambda2_3.o ccsdt_lambda2_3_1.o OFFSET_ccsdt_lambda2_3_1.o ccsdt_lambda2_3_2.o ccsdt_lambda2_4.o ccsdt_lambda2_5.o ccsdt_lambda2_5_1.o OFFSET_ccsdt_lambda2_5_1.o ccsdt_lambda2_5_2.o ccsdt_lambda2_5_2_1.o OFFSET_ccsdt_lambda2_5_2_1.o ccsdt_lambda2_5_2_2.o ccsdt_lambda2_5_3.o ccsdt_lambda2_5_4.o ccsdt_lambda2_6.o ccsdt_lambda2_6_1.o OFFSET_ccsdt_lambda2_6_1.o ccsdt_lambda2_6_2.o ccsdt_lambda2_6_3.o ccsdt_lambda2_6_4.o ccsdt_lambda2_6_4_1.o OFFSET_ccsdt_lambda2_6_4_1.o ccsdt_lambda2_7.o ccsdt_lambda2_7_1.o OFFSET_ccsdt_lambda2_7_1.o ccsdt_lambda2_7_2.o ccsdt_lambda2_7_2_1.o OFFSET_ccsdt_lambda2_7_2_1.o ccsdt_lambda2_7_2_2.o ccsdt_lambda2_7_3.o ccsdt_lambda2_8.o ccsdt_lambda2_8_1.o OFFSET_ccsdt_lambda2_8_1.o ccsdt_lambda2_8_2.o ccsdt_lambda2_8_3.o ccsdt_lambda2_9.o ccsdt_lambda2_10.o ccsdt_lambda2_10_1.o OFFSET_ccsdt_lambda2_10_1.o ccsdt_lambda2_10_2.o ccsdt_lambda2_10_2_1.o OFFSET_ccsdt_lambda2_10_2_1.o ccsdt_lambda2_10_2_2.o ccsdt_lambda2_10_2_2_1.o OFFSET_ccsdt_lambda2_10_2_2_1.o ccsdt_lambda2_10_2_2_2.o ccsdt_lambda2_10_2_3.o ccsdt_lambda2_10_2_4.o ccsdt_lambda2_10_3.o ccsdt_lambda2_10_3_1.o OFFSET_ccsdt_lambda2_10_3_1.o ccsdt_lambda2_10_3_2.o ccsdt_lambda2_10_3_3.o ccsdt_lambda2_10_4.o ccsdt_lambda2_10_5.o ccsdt_lambda2_10_5_1.o OFFSET_ccsdt_lambda2_10_5_1.o ccsdt_lambda2_10_5_2.o ccsdt_lambda2_10_6.o ccsdt_lambda2_10_7.o ccsdt_lambda2_10_8.o ccsdt_lambda2_11.o ccsdt_lambda2_11_1.o OFFSET_ccsdt_lambda2_11_1.o ccsdt_lambda2_11_2.o ccsdt_lambda2_11_2_1.o OFFSET_ccsdt_lambda2_11_2_1.o ccsdt_lambda2_11_2_2.o ccsdt_lambda2_11_2_2_1.o OFFSET_ccsdt_lambda2_11_2_2_1.o ccsdt_lambda2_11_2_2_2.o ccsdt_lambda2_11_2_3.o ccsdt_lambda2_11_3.o ccsdt_lambda2_11_3_1.o OFFSET_ccsdt_lambda2_11_3_1.o ccsdt_lambda2_11_3_2.o ccsdt_lambda2_11_4.o ccsdt_lambda2_11_4_1.o OFFSET_ccsdt_lambda2_11_4_1.o ccsdt_lambda2_11_4_2.o ccsdt_lambda2_11_5.o ccsdt_lambda2_11_5_1.o OFFSET_ccsdt_lambda2_11_5_1.o ccsdt_lambda2_11_5_2.o ccsdt_lambda2_11_6.o ccsdt_lambda2_11_7.o ccsdt_lambda2_12.o ccsdt_lambda2_12_1.o OFFSET_ccsdt_lambda2_12_1.o ccsdt_lambda2_12_2.o ccsdt_lambda2_12_3.o ccsdt_lambda2_12_3_1.o OFFSET_ccsdt_lambda2_12_3_1.o ccsdt_lambda2_12_3_2.o ccsdt_lambda2_12_4.o ccsdt_lambda2_12_5.o ccsdt_lambda2_12_6.o ccsdt_lambda2_12_6_1.o OFFSET_ccsdt_lambda2_12_6_1.o ccsdt_lambda2_12_7.o ccsdt_lambda2_12_7_1.o OFFSET_ccsdt_lambda2_12_7_1.o ccsdt_lambda2_13.o ccsdt_lambda2_13_1.o OFFSET_ccsdt_lambda2_13_1.o ccsdt_lambda2_13_2.o ccsdt_lambda2_13_3.o ccsdt_lambda2_14.o ccsdt_lambda2_14_1.o OFFSET_ccsdt_lambda2_14_1.o ccsdt_lambda2_14_2.o ccsdt_lambda2_15.o ccsdt_lambda2_15_1.o OFFSET_ccsdt_lambda2_15_1.o ccsdt_lambda2_15_2.o ccsdt_lambda2_16.o ccsdt_lambda2_16_1.o OFFSET_ccsdt_lambda2_16_1.o ccsdt_lambda2_16_2.o ccsdt_lambda2_17.o ccsdt_lambda2_17_1.o OFFSET_ccsdt_lambda2_17_1.o ccsdt_lambda2_18.o ccsdt_lambda2_18_1.o OFFSET_ccsdt_lambda2_18_1.o ccsdt_lambda2_18_2.o ccsdt_lambda2_19.o ccsdt_lambda2_19_1.o OFFSET_ccsdt_lambda2_19_1.o ccsdt_lambda2_19_2.o ccsdt_lambda2_19_3.o ccsdt_lambda2_19_3_1.o OFFSET_ccsdt_lambda2_19_3_1.o ccsdt_lambda2_19_4.o ccsdt_lambda2_19_4_1.o OFFSET_ccsdt_lambda2_19_4_1.o ccsdt_lambda2_20.o ccsdt_lambda2_20_1.o OFFSET_ccsdt_lambda2_20_1.o ccsdt_lambda2_21.o ccsdt_lambda2_21_1.o OFFSET_ccsdt_lambda2_21_1.o ccsdt_lambda2_22.o ccsdt_lambda2_22_1.o OFFSET_ccsdt_lambda2_22_1.o ccsdt_lambda2_23.o ccsdt_lambda2_23_1.o OFFSET_ccsdt_lambda2_23_1.o ccsdt_lambda2_23_2.o ccsdt_lambda2_23_2_1.o OFFSET_ccsdt_lambda2_23_2_1.o ccsdt_lambda2_23_2_2.o ccsdt_lambda2_23_3.o ccsdt_lambda2_23_3_1.o OFFSET_ccsdt_lambda2_23_3_1.o ccsdt_lambda2_24.o ccsdt_lambda2_24_1.o OFFSET_ccsdt_lambda2_24_1.o ccsdt_lambda2_24_1_1.o OFFSET_ccsdt_lambda2_24_1_1.o ccsdt_lambda2_25.o ccsdt_lambda2_25_1.o OFFSET_ccsdt_lambda2_25_1.o ccsdt_lambda2_25_1_1.o OFFSET_ccsdt_lambda2_25_1_1.o ccsdt_lambda2_26.o ccsdt_lambda2_26_1.o OFFSET_ccsdt_lambda2_26_1.o ccsdt_lambda2_26_1_1.o OFFSET_ccsdt_lambda2_26_1_1.o ccsdt_lambda2_26_2.o ccsdt_lambda2_26_2_1.o OFFSET_ccsdt_lambda2_26_2_1.o ccsdt_lambda2_26_2_1_1.o OFFSET_ccsdt_lambda2_26_2_1_1.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsdt_lambda' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsdt_lambda' Making all in eomccsdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsdt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsdt' Compiling eomccsdt_x1.F... Compiling eomccsdt_x2.F... Compiling eomccsdt_y3.F... Compiling eomccsdt_density1.F... Compiling eomccsdt_denominator.F... Compiling eomccsdt_x1a.F... Compiling eomccsdt_x2a.F... Compiling eomccsdt_density1_1_1.F... Compiling eomccsdt_density1_1_2.F... Compiling eomccsdt_density1_1_3.F... Compiling eomccsdt_density1_1.F... Compiling eomccsdt_density1_2_1.F... Compiling eomccsdt_density1_2_2_1.F... Compiling eomccsdt_density1_2_2.F... Compiling eomccsdt_density1_2.F... Compiling eomccsdt_density1_3_1.F... Compiling eomccsdt_density1_3_2.F... Compiling eomccsdt_density1_3_3.F... Compiling eomccsdt_density1_3_4_1.F... Compiling eomccsdt_density1_3_4_2.F... Compiling eomccsdt_density1_3_4_3.F... Compiling eomccsdt_density1_3_4.F... Compiling eomccsdt_density1_3_5_1.F... Compiling eomccsdt_density1_3_5_2.F... Compiling eomccsdt_density1_3_5.F... Compiling eomccsdt_density1_3_6_1.F... Compiling eomccsdt_density1_3_6.F... Compiling eomccsdt_density1_3.F... Compiling eomccsdt_density1_4_1.F... Compiling eomccsdt_density1_4_2_1.F... Compiling eomccsdt_density1_4_2.F... Compiling eomccsdt_density1_4.F... Compiling eomccsdt_density1_5_10_1.F... Compiling eomccsdt_density1_5_10_2_1.F... Compiling eomccsdt_density1_5_10_2_2_1.F... Compiling eomccsdt_density1_5_10_2_2_2.F... Compiling eomccsdt_density1_5_10_2_2.F... Compiling eomccsdt_density1_5_10_2.F... Compiling eomccsdt_density1_5_10_3_1.F... Compiling eomccsdt_density1_5_10_3.F... Compiling eomccsdt_density1_5_10.F... Compiling eomccsdt_density1_5_11_1.F... Compiling eomccsdt_density1_5_11.F... Compiling eomccsdt_density1_5_12_1.F... Compiling eomccsdt_density1_5_12.F... Compiling eomccsdt_density1_5_13_1_1.F... Compiling eomccsdt_density1_5_13_1.F... Compiling eomccsdt_density1_5_13.F... Compiling eomccsdt_density1_5_1.F... Compiling eomccsdt_density1_5_2.F... Compiling eomccsdt_density1_5_3_1.F... Compiling eomccsdt_density1_5_3_2.F... Compiling eomccsdt_density1_5_3_3.F... Compiling eomccsdt_density1_5_3_4_1.F... Compiling eomccsdt_density1_5_3_4_2.F... Compiling eomccsdt_density1_5_3_4_3.F... Compiling eomccsdt_density1_5_3_4.F... Compiling eomccsdt_density1_5_3_5_1.F... Compiling eomccsdt_density1_5_3_5_2.F... Compiling eomccsdt_density1_5_3_5.F... Compiling eomccsdt_density1_5_3_6_1.F... Compiling eomccsdt_density1_5_3_6.F... Compiling eomccsdt_density1_5_3.F... Compiling eomccsdt_density1_5_4_1.F... Compiling eomccsdt_density1_5_4_2.F... Compiling eomccsdt_density1_5_4_3.F... Compiling eomccsdt_density1_5_4.F... Compiling eomccsdt_density1_5_5_1.F... Compiling eomccsdt_density1_5_5_2.F... Compiling eomccsdt_density1_5_5_3.F... Compiling eomccsdt_density1_5_5.F... Compiling eomccsdt_density1_5_6_1.F... Compiling eomccsdt_density1_5_6_2.F... Compiling eomccsdt_density1_5_6.F... Compiling eomccsdt_density1_5_7_1.F... Compiling eomccsdt_density1_5_7.F... Compiling eomccsdt_density1_5_8_1.F... Compiling eomccsdt_density1_5_8_2.F... Compiling eomccsdt_density1_5_8_3.F... Compiling eomccsdt_density1_5_8.F... Compiling eomccsdt_density1_5_9_1.F... Compiling eomccsdt_density1_5_9_2.F... Compiling eomccsdt_density1_5_9.F... Compiling eomccsdt_density1_5.F... Compiling eomccsdt_density1_6_1.F... Compiling eomccsdt_density1_6_2.F... Compiling eomccsdt_density1_6_3_1.F... Compiling eomccsdt_density1_6_3_2.F... Compiling eomccsdt_density1_6_3.F... Compiling eomccsdt_density1_6_4_1.F... Compiling eomccsdt_density1_6_4_2.F... Compiling eomccsdt_density1_6_4.F... Compiling eomccsdt_density1_6_5_1.F... Compiling eomccsdt_density1_6_5.F... Compiling eomccsdt_density1_6.F... Compiling eomccsdt_x2a_all12.F... Compiling eomccsdt_x2a_all15.F... Compiling eomccsdt_x2a_all18.F... Compiling eomccsdt_x2a_all3.F... Compiling eomccsdt_x2a_all6.F... Compiling eomccsdt_x2a_all9.F... Compiling eomccsdt_x2_all12.F... Compiling eomccsdt_x2_all15.F... Compiling eomccsdt_x2_all18.F... Compiling eomccsdt_x2_all3.F... Compiling eomccsdt_x2_all6.F... Compiling eomccsdt_x2_all9.F... Compiling eomccsdt_x3a_all12.F... Compiling eomccsdt_x3a_all15.F... Compiling eomccsdt_x3a_all17.F... Compiling eomccsdt_x3a_all3.F... Compiling eomccsdt_x3a_all6.F... Compiling eomccsdt_x3a_all9.F... Compiling eomccsdt_x3a.F... Compiling eomccsdt_x3_all12.F... Compiling eomccsdt_x3_all15.F... Compiling eomccsdt_x3_all17.F... Compiling eomccsdt_x3_all3.F... Compiling eomccsdt_x3_all6.F... Compiling eomccsdt_x3_all9.F... Compiling eomccsdt_x3.F... Compiling eomccsdt_y1_all12.F... Compiling eomccsdt_y1_all15.F... Compiling eomccsdt_y1_all18.F... Compiling eomccsdt_y1_all20.F... Compiling eomccsdt_y1_all3.F... Compiling eomccsdt_y1_all6.F... Compiling eomccsdt_y1_all9.F... Compiling eomccsdt_y1.F... Compiling eomccsdt_y2_all12.F... Compiling eomccsdt_y2_all15.F... Compiling eomccsdt_y2_all18.F... Compiling eomccsdt_y2_all21.F... Compiling eomccsdt_y2_all24.F... Compiling eomccsdt_y2_all25.F... Compiling eomccsdt_y2_all3.F... Compiling eomccsdt_y2_all6.F... Compiling eomccsdt_y2_all9.F... Compiling eomccsdt_y2.F... Compiling OFFSET_eomccsdt_1.F... Compiling OFFSET_eomccsdt_2.F... Compiling OFFSET_eomccsdt_3.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsdt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsdt' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a eomccsdt_x1.o eomccsdt_x2.o eomccsdt_y3.o eomccsdt_density1.o eomccsdt_denominator.o eomccsdt_x1a.o eomccsdt_x2a.o eomccsdt_density1_1_1.o eomccsdt_density1_1_2.o eomccsdt_density1_1_3.o eomccsdt_density1_1.o eomccsdt_density1_2_1.o eomccsdt_density1_2_2_1.o eomccsdt_density1_2_2.o eomccsdt_density1_2.o eomccsdt_density1_3_1.o eomccsdt_density1_3_2.o eomccsdt_density1_3_3.o eomccsdt_density1_3_4_1.o eomccsdt_density1_3_4_2.o eomccsdt_density1_3_4_3.o eomccsdt_density1_3_4.o eomccsdt_density1_3_5_1.o eomccsdt_density1_3_5_2.o eomccsdt_density1_3_5.o eomccsdt_density1_3_6_1.o eomccsdt_density1_3_6.o eomccsdt_density1_3.o eomccsdt_density1_4_1.o eomccsdt_density1_4_2_1.o eomccsdt_density1_4_2.o eomccsdt_density1_4.o eomccsdt_density1_5_10_1.o eomccsdt_density1_5_10_2_1.o eomccsdt_density1_5_10_2_2_1.o eomccsdt_density1_5_10_2_2_2.o eomccsdt_density1_5_10_2_2.o eomccsdt_density1_5_10_2.o eomccsdt_density1_5_10_3_1.o eomccsdt_density1_5_10_3.o eomccsdt_density1_5_10.o eomccsdt_density1_5_11_1.o eomccsdt_density1_5_11.o eomccsdt_density1_5_12_1.o eomccsdt_density1_5_12.o eomccsdt_density1_5_13_1_1.o eomccsdt_density1_5_13_1.o eomccsdt_density1_5_13.o eomccsdt_density1_5_1.o eomccsdt_density1_5_2.o eomccsdt_density1_5_3_1.o eomccsdt_density1_5_3_2.o eomccsdt_density1_5_3_3.o eomccsdt_density1_5_3_4_1.o eomccsdt_density1_5_3_4_2.o eomccsdt_density1_5_3_4_3.o eomccsdt_density1_5_3_4.o eomccsdt_density1_5_3_5_1.o eomccsdt_density1_5_3_5_2.o eomccsdt_density1_5_3_5.o eomccsdt_density1_5_3_6_1.o eomccsdt_density1_5_3_6.o eomccsdt_density1_5_3.o eomccsdt_density1_5_4_1.o eomccsdt_density1_5_4_2.o eomccsdt_density1_5_4_3.o eomccsdt_density1_5_4.o eomccsdt_density1_5_5_1.o eomccsdt_density1_5_5_2.o eomccsdt_density1_5_5_3.o eomccsdt_density1_5_5.o eomccsdt_density1_5_6_1.o eomccsdt_density1_5_6_2.o eomccsdt_density1_5_6.o eomccsdt_density1_5_7_1.o eomccsdt_density1_5_7.o eomccsdt_density1_5_8_1.o eomccsdt_density1_5_8_2.o eomccsdt_density1_5_8_3.o eomccsdt_density1_5_8.o eomccsdt_density1_5_9_1.o eomccsdt_density1_5_9_2.o eomccsdt_density1_5_9.o eomccsdt_density1_5.o eomccsdt_density1_6_1.o eomccsdt_density1_6_2.o eomccsdt_density1_6_3_1.o eomccsdt_density1_6_3_2.o eomccsdt_density1_6_3.o eomccsdt_density1_6_4_1.o eomccsdt_density1_6_4_2.o eomccsdt_density1_6_4.o eomccsdt_density1_6_5_1.o eomccsdt_density1_6_5.o eomccsdt_density1_6.o eomccsdt_x2a_all12.o eomccsdt_x2a_all15.o eomccsdt_x2a_all18.o eomccsdt_x2a_all3.o eomccsdt_x2a_all6.o eomccsdt_x2a_all9.o eomccsdt_x2_all12.o eomccsdt_x2_all15.o eomccsdt_x2_all18.o eomccsdt_x2_all3.o eomccsdt_x2_all6.o eomccsdt_x2_all9.o eomccsdt_x3a_all12.o eomccsdt_x3a_all15.o eomccsdt_x3a_all17.o eomccsdt_x3a_all3.o eomccsdt_x3a_all6.o eomccsdt_x3a_all9.o eomccsdt_x3a.o eomccsdt_x3_all12.o eomccsdt_x3_all15.o eomccsdt_x3_all17.o eomccsdt_x3_all3.o eomccsdt_x3_all6.o eomccsdt_x3_all9.o eomccsdt_x3.o eomccsdt_y1_all12.o eomccsdt_y1_all15.o eomccsdt_y1_all18.o eomccsdt_y1_all20.o eomccsdt_y1_all3.o eomccsdt_y1_all6.o eomccsdt_y1_all9.o eomccsdt_y1.o eomccsdt_y2_all12.o eomccsdt_y2_all15.o eomccsdt_y2_all18.o eomccsdt_y2_all21.o eomccsdt_y2_all24.o eomccsdt_y2_all25.o eomccsdt_y2_all3.o eomccsdt_y2_all6.o eomccsdt_y2_all9.o eomccsdt_y2.o OFFSET_eomccsdt_1.o OFFSET_eomccsdt_2.o OFFSET_eomccsdt_3.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsdt' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsdt' Making all in ccsd_alpha make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_alpha' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_alpha' Compiling alpha_1_1_1.F... Compiling alpha_1_1_2.F... Compiling alpha_1_1_3_1.F... Compiling alpha_1_1_3_2.F... Compiling alpha_1_1_3.F... Compiling alpha_1_1_4_1.F... Compiling alpha_1_1_4_2.F... Compiling alpha_1_1_4.F... Compiling alpha_1_1_5_1.F... Compiling alpha_1_1_5.F... Compiling alpha_1_1_6_1.F... Compiling alpha_1_1_6.F... Compiling alpha_1_1.F... Compiling alpha_1_2_1.F... Compiling alpha_1_2_2.F... Compiling alpha_1_2.F... Compiling alpha_1_3_1.F... Compiling alpha_1_3.F... Compiling alpha_1_4_1.F... Compiling alpha_1_4.F... Compiling alpha_1.F... Compiling alpha_2_1_1.F... Compiling alpha_2_1.F... Compiling alpha_2_2_1_1.F... Compiling alpha_2_2_1_2.F... Compiling alpha_2_2_1.F... Compiling alpha_2_2_2_1.F... Compiling alpha_2_2_2_2.F... Compiling alpha_2_2_2.F... Compiling alpha_2_2_3_1.F... Compiling alpha_2_2_3.F... Compiling alpha_2_2_4_1.F... Compiling alpha_2_2_4.F... Compiling alpha_2_2.F... Compiling alpha_2_3_1_1.F... Compiling alpha_2_3_1_2.F... Compiling alpha_2_3_1_3_1.F... Compiling alpha_2_3_1_3.F... Compiling alpha_2_3_1_4_1.F... Compiling alpha_2_3_1_4.F... Compiling alpha_2_3_1.F... Compiling alpha_2_3_2_1.F... Compiling alpha_2_3_2_2.F... Compiling alpha_2_3_2_3_1.F... Compiling alpha_2_3_2_3.F... Compiling alpha_2_3_2_4_1.F... Compiling alpha_2_3_2_4.F... Compiling alpha_2_3_2.F... Compiling alpha_2_3_3_1.F... Compiling alpha_2_3_3.F... Compiling alpha_2_3_4_1.F... Compiling alpha_2_3_4.F... Compiling alpha_2_3_5_1.F... Compiling alpha_2_3_5.F... Compiling alpha_2_3_6_1.F... Compiling alpha_2_3_6.F... Compiling alpha_2_3_7_1.F... Compiling alpha_2_3_7.F... Compiling alpha_2_3_8_1.F... Compiling alpha_2_3_8.F... Compiling alpha_2_3_9_1_1.F... Compiling alpha_2_3_9_1.F... Compiling alpha_2_3_9_2_1.F... Compiling alpha_2_3_9_2.F... Compiling alpha_2_3_9.F... Compiling alpha_2_3.F... Compiling alpha_2_4_1_1.F... Compiling alpha_2_4_1.F... Compiling alpha_2_4.F... Compiling alpha_2_5_10_1_1.F... Compiling alpha_2_5_10_1.F... Compiling alpha_2_5_10_2_1.F... Compiling alpha_2_5_10_2.F... Compiling alpha_2_5_10_3_1.F... Compiling alpha_2_5_10_3.F... Compiling alpha_2_5_10_4_1.F... Compiling alpha_2_5_10_4.F... Compiling alpha_2_5_10_5_1.F... Compiling alpha_2_5_10_5.F... Compiling alpha_2_5_10_6_1.F... Compiling alpha_2_5_10_6.F... Compiling alpha_2_5_10_7_1.F... Compiling alpha_2_5_10_7.F... Compiling alpha_2_5_10_8_1_1.F... Compiling alpha_2_5_10_8_1.F... Compiling alpha_2_5_10_8.F... Compiling alpha_2_5_10.F... Compiling alpha_2_5_11_1_1.F... Compiling alpha_2_5_11_1.F... Compiling alpha_2_5_1_1.F... Compiling alpha_2_5_11.F... Compiling alpha_2_5_12_1_1.F... Compiling alpha_2_5_12_1.F... Compiling alpha_2_5_1_2.F... Compiling alpha_2_5_12.F... Compiling alpha_2_5_13_1_1.F... Compiling alpha_2_5_1_3_1.F... Compiling alpha_2_5_13_1.F... Compiling alpha_2_5_13_2_1.F... Compiling alpha_2_5_13_2.F... Compiling alpha_2_5_1_3.F... Compiling alpha_2_5_13.F... Compiling alpha_2_5_14_1_1.F... Compiling alpha_2_5_14_1.F... Compiling alpha_2_5_14_2_1.F... Compiling alpha_2_5_14_2.F... Compiling alpha_2_5_14.F... Compiling alpha_2_5_1.F... Compiling alpha_2_5_2_1.F... Compiling alpha_2_5_2.F... Compiling alpha_2_5_3_1.F... Compiling alpha_2_5_3_2.F... Compiling alpha_2_5_3.F... Compiling alpha_2_5_4_1.F... Compiling alpha_2_5_4_2_1.F... Compiling alpha_2_5_4_2.F... Compiling alpha_2_5_4.F... Compiling alpha_2_5_5_1.F... Compiling alpha_2_5_5_2.F... Compiling alpha_2_5_5.F... Compiling alpha_2_5_6_1.F... Compiling alpha_2_5_6.F... Compiling alpha_2_5_7_1.F... Compiling alpha_2_5_7.F... Compiling alpha_2_5_8_1.F... Compiling alpha_2_5_8.F... Compiling alpha_2_5_9_1.F... Compiling alpha_2_5_9.F... Compiling alpha_2_5.F... Compiling alpha_2_6_1_1.F... Compiling alpha_2_6_1.F... Compiling alpha_2_6.F... Compiling alpha_2_7_1_1.F... Compiling alpha_2_7_1_2_1.F... Compiling alpha_2_7_1_2.F... Compiling alpha_2_7_1.F... Compiling alpha_2_7_2_1.F... Compiling alpha_2_7_2.F... Compiling alpha_2_7_3_1.F... Compiling alpha_2_7_3.F... Compiling alpha_2_7_4_1.F... Compiling alpha_2_7_4_2_1.F... Compiling alpha_2_7_4_2.F... Compiling alpha_2_7_4.F... Compiling alpha_2_7_5_1.F... Compiling alpha_2_7_5.F... Compiling alpha_2_7_6_1.F... Compiling alpha_2_7_6.F... Compiling alpha_2_7_7_1_1.F... Compiling alpha_2_7_7_1.F... Compiling alpha_2_7_7.F... Compiling alpha_2_7.F... Compiling alpha_2_8_1_1.F... Compiling alpha_2_8_1.F... Compiling alpha_2_8_2_1.F... Compiling alpha_2_8_2.F... Compiling alpha_2_8_3_1.F... Compiling alpha_2_8_3.F... Compiling alpha_2_8_4_1_1.F... Compiling alpha_2_8_4_1_2_1.F... Compiling alpha_2_8_4_1_2.F... Compiling alpha_2_8_4_1.F... Compiling alpha_2_8_4_2_1.F... Compiling alpha_2_8_4_2.F... Compiling alpha_2_8_4_3_1.F... Compiling alpha_2_8_4_3_2_1.F... Compiling alpha_2_8_4_3_2.F... Compiling alpha_2_8_4_3.F... Compiling alpha_2_8_4_4_1.F... Compiling alpha_2_8_4_4.F... Compiling alpha_2_8_4_5_1_1.F... Compiling alpha_2_8_4_5_1.F... Compiling alpha_2_8_4_5.F... Compiling alpha_2_8_4.F... Compiling alpha_2_8_5_1_1.F... Compiling alpha_2_8_5_1.F... Compiling alpha_2_8_5_2_1.F... Compiling alpha_2_8_5_2.F... Compiling alpha_2_8_5.F... Compiling alpha_2_8_6_1_1.F... Compiling alpha_2_8_6_1.F... Compiling alpha_2_8_6_2_1.F... Compiling alpha_2_8_6_2.F... Compiling alpha_2_8_6_3_1.F... Compiling alpha_2_8_6_3.F... Compiling alpha_2_8_6_4_1.F... Compiling alpha_2_8_6_4.F... Compiling alpha_2_8_6.F... Compiling alpha_2_8_7_1_1.F... Compiling alpha_2_8_7_1.F... Compiling alpha_2_8_7.F... Compiling alpha_2_8_8_1_1.F... Compiling alpha_2_8_8_1.F... Compiling alpha_2_8_8.F... Compiling alpha_2_8.F... Compiling alpha_2.F... Compiling dip_r_1_1.F... Compiling dip_r_1_2.F... Compiling dip_r_1.F... Compiling dip_r_2.F... Compiling dip_r.F... Compiling offset_alpha_1_1_1.F... Compiling offset_alpha_1_1_3_1.F... Compiling offset_alpha_1_1_4_1.F... Compiling offset_alpha_1_1_5_1.F... Compiling offset_alpha_1_1_6_1.F... Compiling offset_alpha_1_2_1.F... Compiling offset_alpha_1_3_1.F... Compiling offset_alpha_1_4_1.F... Compiling offset_alpha_2_1_1.F... Compiling offset_alpha_2_2_1_1.F... Compiling offset_alpha_2_2_1.F... Compiling offset_alpha_2_2_2_1.F... Compiling offset_alpha_2_2_3_1.F... Compiling offset_alpha_2_2_4_1.F... Compiling offset_alpha_2_3_1_1.F... Compiling offset_alpha_2_3_1_3_1.F... Compiling offset_alpha_2_3_1_4_1.F... Compiling offset_alpha_2_3_1.F... Compiling offset_alpha_2_3_2_1.F... Compiling offset_alpha_2_3_2_3_1.F... Compiling offset_alpha_2_3_2_4_1.F... Compiling offset_alpha_2_3_3_1.F... Compiling offset_alpha_2_3_4_1.F... Compiling offset_alpha_2_3_5_1.F... Compiling offset_alpha_2_3_6_1.F... Compiling offset_alpha_2_3_7_1.F... Compiling offset_alpha_2_3_8_1.F... Compiling offset_alpha_2_3_9_1_1.F... Compiling offset_alpha_2_3_9_1.F... Compiling offset_alpha_2_3_9_2_1.F... Compiling offset_alpha_2_4_1_1.F... Compiling offset_alpha_2_4_1.F... Compiling offset_alpha_2_5_10_1_1.F... Compiling offset_alpha_2_5_10_1.F... Compiling offset_alpha_2_5_10_2_1.F... Compiling offset_alpha_2_5_10_3_1.F... Compiling offset_alpha_2_5_10_4_1.F... Compiling offset_alpha_2_5_10_5_1.F... Compiling offset_alpha_2_5_10_6_1.F... Compiling offset_alpha_2_5_10_7_1.F... Compiling offset_alpha_2_5_10_8_1_1.F... Compiling offset_alpha_2_5_10_8_1.F... Compiling offset_alpha_2_5_11_1_1.F... Compiling offset_alpha_2_5_11_1.F... Compiling offset_alpha_2_5_1_1.F... Compiling offset_alpha_2_5_12_1_1.F... Compiling offset_alpha_2_5_12_1.F... Compiling offset_alpha_2_5_13_1_1.F... Compiling offset_alpha_2_5_1_3_1.F... Compiling offset_alpha_2_5_13_1.F... Compiling offset_alpha_2_5_13_2_1.F... Compiling offset_alpha_2_5_14_1_1.F... Compiling offset_alpha_2_5_14_1.F... Compiling offset_alpha_2_5_14_2_1.F... Compiling offset_alpha_2_5_1.F... Compiling offset_alpha_2_5_2_1.F... Compiling offset_alpha_2_5_3_1.F... Compiling offset_alpha_2_5_4_1.F... Compiling offset_alpha_2_5_4_2_1.F... Compiling offset_alpha_2_5_5_1.F... Compiling offset_alpha_2_5_6_1.F... Compiling offset_alpha_2_5_7_1.F... Compiling offset_alpha_2_5_8_1.F... Compiling offset_alpha_2_5_9_1.F... Compiling offset_alpha_2_6_1_1.F... Compiling offset_alpha_2_6_1.F... Compiling offset_alpha_2_7_1_1.F... Compiling offset_alpha_2_7_1_2_1.F... Compiling offset_alpha_2_7_1.F... Compiling offset_alpha_2_7_2_1.F... Compiling offset_alpha_2_7_3_1.F... Compiling offset_alpha_2_7_4_1.F... Compiling offset_alpha_2_7_4_2_1.F... Compiling offset_alpha_2_7_5_1.F... Compiling offset_alpha_2_7_6_1.F... Compiling offset_alpha_2_7_7_1_1.F... Compiling offset_alpha_2_7_7_1.F... Compiling offset_alpha_2_8_1_1.F... Compiling offset_alpha_2_8_1.F... Compiling offset_alpha_2_8_2_1.F... Compiling offset_alpha_2_8_3_1.F... Compiling offset_alpha_2_8_4_1_1.F... Compiling offset_alpha_2_8_4_1_2_1.F... Compiling offset_alpha_2_8_4_1.F... Compiling offset_alpha_2_8_4_2_1.F... Compiling offset_alpha_2_8_4_3_1.F... Compiling offset_alpha_2_8_4_3_2_1.F... Compiling offset_alpha_2_8_4_4_1.F... Compiling offset_alpha_2_8_4_5_1_1.F... Compiling offset_alpha_2_8_4_5_1.F... Compiling offset_alpha_2_8_5_1_1.F... Compiling offset_alpha_2_8_5_1.F... Compiling offset_alpha_2_8_5_2_1.F... Compiling offset_alpha_2_8_6_1_1.F... Compiling offset_alpha_2_8_6_1.F... Compiling offset_alpha_2_8_6_2_1.F... Compiling offset_alpha_2_8_6_3_1.F... Compiling offset_alpha_2_8_6_4_1.F... Compiling offset_alpha_2_8_7_1_1.F... Compiling offset_alpha_2_8_7_1.F... Compiling offset_alpha_2_8_8_1_1.F... Compiling offset_alpha_2_8_8_1.F... Compiling offset_dip_r_1_1.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_alpha' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_alpha' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a alpha_1_1_1.o alpha_1_1_2.o alpha_1_1_3_1.o alpha_1_1_3_2.o alpha_1_1_3.o alpha_1_1_4_1.o alpha_1_1_4_2.o alpha_1_1_4.o alpha_1_1_5_1.o alpha_1_1_5.o alpha_1_1_6_1.o alpha_1_1_6.o alpha_1_1.o alpha_1_2_1.o alpha_1_2_2.o alpha_1_2.o alpha_1_3_1.o alpha_1_3.o alpha_1_4_1.o alpha_1_4.o alpha_1.o alpha_2_1_1.o alpha_2_1.o alpha_2_2_1_1.o alpha_2_2_1_2.o alpha_2_2_1.o alpha_2_2_2_1.o alpha_2_2_2_2.o alpha_2_2_2.o alpha_2_2_3_1.o alpha_2_2_3.o alpha_2_2_4_1.o alpha_2_2_4.o alpha_2_2.o alpha_2_3_1_1.o alpha_2_3_1_2.o alpha_2_3_1_3_1.o alpha_2_3_1_3.o alpha_2_3_1_4_1.o alpha_2_3_1_4.o alpha_2_3_1.o alpha_2_3_2_1.o alpha_2_3_2_2.o alpha_2_3_2_3_1.o alpha_2_3_2_3.o alpha_2_3_2_4_1.o alpha_2_3_2_4.o alpha_2_3_2.o alpha_2_3_3_1.o alpha_2_3_3.o alpha_2_3_4_1.o alpha_2_3_4.o alpha_2_3_5_1.o alpha_2_3_5.o alpha_2_3_6_1.o alpha_2_3_6.o alpha_2_3_7_1.o alpha_2_3_7.o alpha_2_3_8_1.o alpha_2_3_8.o alpha_2_3_9_1_1.o alpha_2_3_9_1.o alpha_2_3_9_2_1.o alpha_2_3_9_2.o alpha_2_3_9.o alpha_2_3.o alpha_2_4_1_1.o alpha_2_4_1.o alpha_2_4.o alpha_2_5_10_1_1.o alpha_2_5_10_1.o alpha_2_5_10_2_1.o alpha_2_5_10_2.o alpha_2_5_10_3_1.o alpha_2_5_10_3.o alpha_2_5_10_4_1.o alpha_2_5_10_4.o alpha_2_5_10_5_1.o alpha_2_5_10_5.o alpha_2_5_10_6_1.o alpha_2_5_10_6.o alpha_2_5_10_7_1.o alpha_2_5_10_7.o alpha_2_5_10_8_1_1.o alpha_2_5_10_8_1.o alpha_2_5_10_8.o alpha_2_5_10.o alpha_2_5_11_1_1.o alpha_2_5_11_1.o alpha_2_5_1_1.o alpha_2_5_11.o alpha_2_5_12_1_1.o alpha_2_5_12_1.o alpha_2_5_1_2.o alpha_2_5_12.o alpha_2_5_13_1_1.o alpha_2_5_1_3_1.o alpha_2_5_13_1.o alpha_2_5_13_2_1.o alpha_2_5_13_2.o alpha_2_5_1_3.o alpha_2_5_13.o alpha_2_5_14_1_1.o alpha_2_5_14_1.o alpha_2_5_14_2_1.o alpha_2_5_14_2.o alpha_2_5_14.o alpha_2_5_1.o alpha_2_5_2_1.o alpha_2_5_2.o alpha_2_5_3_1.o alpha_2_5_3_2.o alpha_2_5_3.o alpha_2_5_4_1.o alpha_2_5_4_2_1.o alpha_2_5_4_2.o alpha_2_5_4.o alpha_2_5_5_1.o alpha_2_5_5_2.o alpha_2_5_5.o alpha_2_5_6_1.o alpha_2_5_6.o alpha_2_5_7_1.o alpha_2_5_7.o alpha_2_5_8_1.o alpha_2_5_8.o alpha_2_5_9_1.o alpha_2_5_9.o alpha_2_5.o alpha_2_6_1_1.o alpha_2_6_1.o alpha_2_6.o alpha_2_7_1_1.o alpha_2_7_1_2_1.o alpha_2_7_1_2.o alpha_2_7_1.o alpha_2_7_2_1.o alpha_2_7_2.o alpha_2_7_3_1.o alpha_2_7_3.o alpha_2_7_4_1.o alpha_2_7_4_2_1.o alpha_2_7_4_2.o alpha_2_7_4.o alpha_2_7_5_1.o alpha_2_7_5.o alpha_2_7_6_1.o alpha_2_7_6.o alpha_2_7_7_1_1.o alpha_2_7_7_1.o alpha_2_7_7.o alpha_2_7.o alpha_2_8_1_1.o alpha_2_8_1.o alpha_2_8_2_1.o alpha_2_8_2.o alpha_2_8_3_1.o alpha_2_8_3.o alpha_2_8_4_1_1.o alpha_2_8_4_1_2_1.o alpha_2_8_4_1_2.o alpha_2_8_4_1.o alpha_2_8_4_2_1.o alpha_2_8_4_2.o alpha_2_8_4_3_1.o alpha_2_8_4_3_2_1.o alpha_2_8_4_3_2.o alpha_2_8_4_3.o alpha_2_8_4_4_1.o alpha_2_8_4_4.o alpha_2_8_4_5_1_1.o alpha_2_8_4_5_1.o alpha_2_8_4_5.o alpha_2_8_4.o alpha_2_8_5_1_1.o alpha_2_8_5_1.o alpha_2_8_5_2_1.o alpha_2_8_5_2.o alpha_2_8_5.o alpha_2_8_6_1_1.o alpha_2_8_6_1.o alpha_2_8_6_2_1.o alpha_2_8_6_2.o alpha_2_8_6_3_1.o alpha_2_8_6_3.o alpha_2_8_6_4_1.o alpha_2_8_6_4.o alpha_2_8_6.o alpha_2_8_7_1_1.o alpha_2_8_7_1.o alpha_2_8_7.o alpha_2_8_8_1_1.o alpha_2_8_8_1.o alpha_2_8_8.o alpha_2_8.o alpha_2.o dip_r_1_1.o dip_r_1_2.o dip_r_1.o dip_r_2.o dip_r.o offset_alpha_1_1_1.o offset_alpha_1_1_3_1.o offset_alpha_1_1_4_1.o offset_alpha_1_1_5_1.o offset_alpha_1_1_6_1.o offset_alpha_1_2_1.o offset_alpha_1_3_1.o offset_alpha_1_4_1.o offset_alpha_2_1_1.o offset_alpha_2_2_1_1.o offset_alpha_2_2_1.o offset_alpha_2_2_2_1.o offset_alpha_2_2_3_1.o offset_alpha_2_2_4_1.o offset_alpha_2_3_1_1.o offset_alpha_2_3_1_3_1.o offset_alpha_2_3_1_4_1.o offset_alpha_2_3_1.o offset_alpha_2_3_2_1.o offset_alpha_2_3_2_3_1.o offset_alpha_2_3_2_4_1.o offset_alpha_2_3_3_1.o offset_alpha_2_3_4_1.o offset_alpha_2_3_5_1.o offset_alpha_2_3_6_1.o offset_alpha_2_3_7_1.o offset_alpha_2_3_8_1.o offset_alpha_2_3_9_1_1.o offset_alpha_2_3_9_1.o offset_alpha_2_3_9_2_1.o offset_alpha_2_4_1_1.o offset_alpha_2_4_1.o offset_alpha_2_5_10_1_1.o offset_alpha_2_5_10_1.o offset_alpha_2_5_10_2_1.o offset_alpha_2_5_10_3_1.o offset_alpha_2_5_10_4_1.o offset_alpha_2_5_10_5_1.o offset_alpha_2_5_10_6_1.o offset_alpha_2_5_10_7_1.o offset_alpha_2_5_10_8_1_1.o offset_alpha_2_5_10_8_1.o offset_alpha_2_5_11_1_1.o offset_alpha_2_5_11_1.o offset_alpha_2_5_1_1.o offset_alpha_2_5_12_1_1.o offset_alpha_2_5_12_1.o offset_alpha_2_5_13_1_1.o offset_alpha_2_5_1_3_1.o offset_alpha_2_5_13_1.o offset_alpha_2_5_13_2_1.o offset_alpha_2_5_14_1_1.o offset_alpha_2_5_14_1.o offset_alpha_2_5_14_2_1.o offset_alpha_2_5_1.o offset_alpha_2_5_2_1.o offset_alpha_2_5_3_1.o offset_alpha_2_5_4_1.o offset_alpha_2_5_4_2_1.o offset_alpha_2_5_5_1.o offset_alpha_2_5_6_1.o offset_alpha_2_5_7_1.o offset_alpha_2_5_8_1.o offset_alpha_2_5_9_1.o offset_alpha_2_6_1_1.o offset_alpha_2_6_1.o offset_alpha_2_7_1_1.o offset_alpha_2_7_1_2_1.o offset_alpha_2_7_1.o offset_alpha_2_7_2_1.o offset_alpha_2_7_3_1.o offset_alpha_2_7_4_1.o offset_alpha_2_7_4_2_1.o offset_alpha_2_7_5_1.o offset_alpha_2_7_6_1.o offset_alpha_2_7_7_1_1.o offset_alpha_2_7_7_1.o offset_alpha_2_8_1_1.o offset_alpha_2_8_1.o offset_alpha_2_8_2_1.o offset_alpha_2_8_3_1.o offset_alpha_2_8_4_1_1.o offset_alpha_2_8_4_1_2_1.o offset_alpha_2_8_4_1.o offset_alpha_2_8_4_2_1.o offset_alpha_2_8_4_3_1.o offset_alpha_2_8_4_3_2_1.o offset_alpha_2_8_4_4_1.o offset_alpha_2_8_4_5_1_1.o offset_alpha_2_8_4_5_1.o offset_alpha_2_8_5_1_1.o offset_alpha_2_8_5_1.o offset_alpha_2_8_5_2_1.o offset_alpha_2_8_6_1_1.o offset_alpha_2_8_6_1.o offset_alpha_2_8_6_2_1.o offset_alpha_2_8_6_3_1.o offset_alpha_2_8_6_4_1.o offset_alpha_2_8_7_1_1.o offset_alpha_2_8_7_1.o offset_alpha_2_8_8_1_1.o offset_alpha_2_8_8_1.o offset_dip_r_1_1.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_alpha' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_alpha' Making all in ccsd_beta make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_beta' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_beta' Compiling beta_1_all.F... Compiling beta_2_all.F... Compiling beta_3_all.F... Compiling beta_4_all.F... Compiling beta_all_offsets.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_beta' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_beta' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a beta_1_all.o beta_2_all.o beta_3_all.o beta_4_all.o beta_all_offsets.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_beta' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_beta' Making all in ccsd_yr make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_yr' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_yr' Compiling ccsd_y_o1.F... Compiling ccsd_y_o2.F... Compiling ccsd_yr1.F... Compiling ccsd_yr2.F... Compiling ccsd_y_tr1.F... Compiling ccsd_y_tr2.F... Compiling alpha_2_yr.F... Compiling ccsd_lr_d1_hh.F... Compiling ccsd_lr_d1_ph.F... Compiling ccsd_lr_d1_hp.F... Compiling ccsd_lr_d1_pp.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_yr' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_yr' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a ccsd_y_o1.o ccsd_y_o2.o ccsd_yr1.o ccsd_yr2.o ccsd_y_tr1.o ccsd_y_tr2.o alpha_2_yr.o ccsd_lr_d1_hh.o ccsd_lr_d1_ph.o ccsd_lr_d1_hp.o ccsd_lr_d1_pp.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_yr' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_yr' Making all in response make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/response' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/response' Compiling ccsd_o1.F... Compiling ccsd_o2.F... Compiling eomccsd_o1.F... Compiling eomccsd_o2.F... Compiling ccsdt_o1.F... Compiling ccsdt_o2.F... Compiling ccsdt_o3.F... Compiling ccsdtq_o1.F... Compiling ccsdtq_o2.F... Compiling ccsdtq_o3.F... Compiling ccsdtq_o4.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/response' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/response' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a ccsd_o1.o ccsd_o2.o eomccsd_o1.o eomccsd_o2.o ccsdt_o1.o ccsdt_o2.o ccsdt_o3.o ccsdtq_o1.o ccsdtq_o2.o ccsdtq_o3.o ccsdtq_o4.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/response' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/response' Making all in mrcc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc' Compiling tce_mrcc_input.F... tce_mrcc_input.F:127:55: 87 | if (.not.rtdb_put(rtdb,'mrcc:usescffermiv',mt_log,1,.true.)) | 2 ...... 127 | if (.not.rtdb_put(rtdb,'mrcc:subsize',mt_int,1,isubsize)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc' Making all in include make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/include' Compiling tce_mrcc_energy.F... make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/include' tce_mrcc_energy.F:207:57: 203 | if (.not.rtdb_get(rtdb,'mrcc:debug',mt_log,1,mrccdebug)) | 2 ...... 207 | if (.not.rtdb_get(rtdb,'mrcc:icheckpoint',mt_int,1,icheckpoint)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tce_mrcc_energy.F:2160:54: 365 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 2 ...... 2160 | if (.not.rtdb_put(rtdb,'tce:energy',mt_dbl,1,epsilon+enrep)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tce_mrcc_energy.F:3172:72: 3172 | call errquit('tce_mrcc_energy: unkown method',INPUT_ERR) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling tce_mrcc_readref.F... Compiling tce_mrcc_calcexcit.F... Compiling tce_mrcc_sortint.F... Compiling tce_mrcc_tile.F... tce_mrcc_tile.F:180:50: 163 | if (rtdb_get(rtdb,'tce:tilesize',mt_int,1,jsize)) then | 2 ...... 180 | if (.not.rtdb_get(rtdb,'tce:vcut',mt_dbl,1,vcut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tce_mrcc_macpy.F... Compiling tce_mrcc_fillindexarray.F... Compiling tce_mrcc_uhf.F... tce_mrcc_tile.F:671:72: 671 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_mrcc_tile.F:45:23: 45 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/include' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/include' Making all in ccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd' Compiling create_mr_evl_sorted.F... Compiling pgcreatefile.F... Compiling tce_mrcc_mo2e.F... Compiling tce_mrcc_ao2e.F... Compiling tce_subnxtask.F... tce_subnxtask.F:85:72: 85 | end | ^ Warning: '__result_nxtasksub' may be used uninitialized [-Wmaybe-uninitialized] tce_subnxtask.F:1:32: 1 | integer function nxtasksub(nproc,ichunk,p_handle) | ^ note: '__result_nxtasksub' was declared here Compiling tce_mrcc_sublock.c... Compiling eaf_mrcc.F... make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd' Compiling tce_t3ac_offset.F... Compiling tce_t4ac_offset.F... Compiling tce_mrcc_refs_sym.F... Compiling tce_mrcc_force_orben.F... Compiling tce_mrcc_diis_init.F... Compiling tce_mrcc_heff.F... Compiling tce_mrcc_diis.F... tce_mrcc_heff.F:1274:58: 1231 | if (.not.rtdb_get(rtdb,'mrcc:zignore',mt_int,1,iignore)) | 2 ...... 1274 | if (.not.rtdb_get(rtdb,'mrcc:rootmuc'//ds,mt_dbl,1,dvalue)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tce_mrcc_heff.F:1454:46: 1224 | call ga_brdcst(Msg_Vec_EVal+21,dbl_mb(k_sqc), | 2 ...... 1454 | call ga_brdcst(Msg_Vec_EVal+MSGINT+30,mkroot,inntsize, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling tce_mrcc_jacobi_t1.F... Compiling mr_ccsd_e.F... Compiling tce_mrcc_jacobi_t2.F... Compiling mr_ccsd_t1.F... Compiling tce_mrcc_gacp.F... Compiling mr_ccsd_t2.F... Compiling tce_mrcc_daxfile.F... Compiling mr_ccsd_dcl.F... Compiling tce_mrcc_diis_tidy.F... Compiling T2_C2_1.F... Compiling tce_jacobi_sub_t1.F... Compiling T2_C2.F... Compiling tce_jacobi_sub_t2.F... Compiling T2_pg_C2_1.F... Compiling tce_mrcc_c1.F... Compiling T2_pg_C2.F... Compiling tce_mrcc_c1_offset.F... Compiling tce_mrcc_c2.F... Compiling tce_mrcc_c2_offset.F... tce_mrcc_heff.F:1621:28: 1621 | IF ((nxt.eq.count).or.(.not.limprovet)) THEN | ^ Warning: 'count' may be used uninitialized [-Wmaybe-uninitialized] tce_mrcc_heff.F:1506:21: 1506 | INTEGER count | ^ note: 'count' was declared here Compiling tce_mrcc_mul_1.F... Compiling tce_mrcc_mul_2.F... Compiling tce_mrcc_diis_save.F... Compiling tce_mrcc_diis_new.F... Compiling tce_mrcc_create_cas1.F... tce_mrcc_create_cas1.F:109:14: 109 | if(k.le.(id+ia)) iacounts(k) = 1 | ^ Warning: 'ia' may be used uninitialized [-Wmaybe-uninitialized] tce_mrcc_create_cas1.F:24:21: 24 | integer id,ia,ib | ^ note: 'ia' was declared here tce_mrcc_create_cas1.F:119:72: 119 | do k=1,id+ib | ^ Warning: 'ib' may be used uninitialized [-Wmaybe-uninitialized] tce_mrcc_create_cas1.F:24:24: 24 | integer id,ia,ib | ^ note: 'ib' was declared here tce_mrcc_create_cas1.F:119:72: 119 | do k=1,id+ib | ^ Warning: 'id' may be used uninitialized [-Wmaybe-uninitialized] tce_mrcc_create_cas1.F:24:18: 24 | integer id,ia,ib | ^ note: 'id' was declared here Compiling atpart_nalength_mrcc.F... Compiling new_ga4ind_N5uhf_mrcc_lm2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a mr_ccsd_e.o mr_ccsd_t1.o mr_ccsd_t2.o mr_ccsd_dcl.o T2_C2_1.o T2_C2.o T2_pg_C2_1.o T2_pg_C2.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd' Making all in ccsd_sub make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd_sub' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd_sub' Compiling ccsd_st1.F... Compiling ccsd_st2.F... Compiling ccsd_se.F... Compiling ccsd_dcl_sub.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd_sub' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd_sub' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a ccsd_st1.o ccsd_st2.o ccsd_se.o ccsd_dcl_sub.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd_sub' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd_sub' Making all in ccsd_t make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd_t' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd_t' Compiling tce_mrcc_q3vnt1.F... Compiling tce_mrcc_q3vnt2.F... Compiling tce_mrcc_q3fnt2.F... Compiling tce_mrcc_ccsdpt.F... Compiling tce_mrcc_ccsdpt_subg.F... Compiling tce_mrcc_q3vnt1_subg.F... Compiling tce_mrcc_q3fnt2_subg.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd_t' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd_t' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a tce_mrcc_q3vnt1.o tce_mrcc_q3vnt2.o tce_mrcc_q3fnt2.o tce_mrcc_ccsdpt.o tce_mrcc_ccsdpt_subg.o tce_mrcc_q3vnt1_subg.o tce_mrcc_q3fnt2_subg.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd_t' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd_t' Making all in uss make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/uss' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/uss' Compiling tce_uss_offdiagonal_1.F... Compiling tce_uss_offdiagonal_2.F... tce_uss_offdiagonal_1.F:376:11: 376 | if(ioff1.ne.ioff) then | ^ Warning: 'ioff' may be used uninitialized [-Wmaybe-uninitialized] tce_uss_offdiagonal_1.F:38:35: 38 | integer sizenew,ihashold,ioff,sizenew1,ioff1,ioff2 | ^ note: 'ioff' was declared here Compiling tce_uss_offdiagonal_3.F... tce_uss_offdiagonal_2.F:417:11: 417 | if(ioff1.ne.ioff) then | ^ Warning: 'ioff' may be used uninitialized [-Wmaybe-uninitialized] tce_uss_offdiagonal_2.F:42:35: 42 | integer sizenew,ihashold,ioff,ioff1,ioff2,sizenew1 | ^ note: 'ioff' was declared here Compiling tce_uss_offdiagonal_4.F... tce_uss_offdiagonal_3.F:462:11: 462 | if(ioff1.ne.ioff) then | ^ Warning: 'ioff' may be used uninitialized [-Wmaybe-uninitialized] tce_uss_offdiagonal_3.F:57:35: 57 | integer sizenew,ihashold,ioff,ioff1,ioff2,sizenew1 | ^ note: 'ioff' was declared here tce_uss_offdiagonal_4.F:80:72: 80 | &b,t_h2b,t_h3b,t_h4b,t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_r4a' is used uninitialized [-Wuninitialized] tce_uss_offdiagonal_4.F:33:25: 33 | integer l_r4a,k_r4a | ^ note: 'k_r4a' declared here Compiling ccsd_r3.F... tce_uss_offdiagonal_4.F:465:11: 465 | if(ioff1.ne.ioff) then | ^ Warning: 'ioff' may be used uninitialized [-Wmaybe-uninitialized] tce_uss_offdiagonal_4.F:49:35: 49 | integer sizenew,ihashold,ioff,ioff1,ioff2,sizenew1 | ^ note: 'ioff' was declared here Compiling ccsd_r4.F... Compiling tce_uss_aux.F... Compiling tce_uss_T1_R1.F... Compiling tce_uss_T2_R2.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/uss' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/uss' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a tce_uss_offdiagonal_1.o tce_uss_offdiagonal_2.o tce_uss_offdiagonal_3.o tce_uss_offdiagonal_4.o ccsd_r3.o ccsd_r4.o tce_uss_aux.o tce_uss_T1_R1.o tce_uss_T2_R2.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/uss' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/uss' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a tce_mrcc_input.o tce_mrcc_energy.o tce_mrcc_readref.o tce_mrcc_calcexcit.o tce_mrcc_sortint.o tce_mrcc_tile.o tce_mrcc_macpy.o tce_mrcc_fillindexarray.o tce_mrcc_uhf.o create_mr_evl_sorted.o pgcreatefile.o tce_mrcc_mo2e.o tce_mrcc_ao2e.o tce_subnxtask.o tce_mrcc_sublock.o eaf_mrcc.o tce_t3ac_offset.o tce_t4ac_offset.o tce_mrcc_refs_sym.o tce_mrcc_force_orben.o tce_mrcc_diis_init.o tce_mrcc_heff.o tce_mrcc_diis.o tce_mrcc_jacobi_t1.o tce_mrcc_jacobi_t2.o tce_mrcc_gacp.o tce_mrcc_daxfile.o tce_mrcc_diis_tidy.o tce_jacobi_sub_t1.o tce_jacobi_sub_t2.o tce_mrcc_c1.o tce_mrcc_c1_offset.o tce_mrcc_c2.o tce_mrcc_c2_offset.o tce_mrcc_mul_1.o tce_mrcc_mul_2.o tce_mrcc_diis_save.o tce_mrcc_diis_new.o tce_mrcc_create_cas1.o atpart_nalength_mrcc.o new_ga4ind_N5uhf_mrcc_lm2.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a tce_input.o tce_init.o tce_energy.o tce_energy_fragment.o tce_tile.o tce_ao1e.o tce_mo1e.o tce_ao2e.o tce_filename.o createfile.o deletefile.o reconcilefile.o dratoga.o gatodra.o gatoeaf.o get_block.o put_block.o add_block.o tce_tidy.o sf_test.o hbar.o tce_mo2e.o tce_mo1e_offset.o tce_mo2e_offset.o tce_e_offset.o tce_guess_t1.o tce_guess_t2.o tce_zero.o tce_print_x1.o tce_print_x2.o tce_residual_t1.o tce_residual_t2.o tce_residual_t3.o tce_residual_t4.o ma_pack.o sf_print.o ma_print_compact.o ma_scale.o copyfile.o ddotfile.o daxfile.o daxpyfile.o dscalfile.o tce_aod1.o tce_nud1.o tce_mod1.o tce_mod1_offset.o sym_abelian_axis.o tce_mod1_new.o tce_mod1_offset_new.o tce_eom_init.o tce_eom_tidy.o tce_eom_xdiagon.o tce_eom_ydiagon.o tce_t1_offset.o tce_t2_offset.o tce_t3_offset.o tce_t4_offset.o tce_x1_offset.o tce_x2_offset.o tce_x3_offset.o tce_x4_offset.o tce_y1_offset.o tce_y2_offset.o tce_y3_offset.o tce_y4_offset.o tce_mbpt2.o tce_restricted.o tce_hash.o get_hash_block.o put_hash_block.o add_hash_block.o tce_residual_t3a.o tce_t3a_offset.o tce_x3a_offset.o tce_cholesky.o tce_ao2e_cholesky.o tce_ao2e_cholesky_2d.o tce_ao2e_cholesky_4d.o e2_offset_2_offset.o get_block_ind.o get_block_ind_sf.o tce_hash_ind.o tce_mo2e_offset_intorb.o tce_mo2e_offset_size.o tce_mo2e_trans.o atpart_nalength.o tce_mo2e_zones_4a_disk_ga.o tce_mo2e_zones_4a_disk_ga_chop.o tce_mo2e_zones_4a_disk_2s_new.o tce_restart.o tce_restart_triples.o tce_restart_quadruples.o tce_dens_hh_offset.o tce_dens_hp_offset.o tce_dens_pp_offset.o tce_dens_ph_offset.o get_mo_rdm_hh.o get_mo_rdm_hp.o get_mo_rdm_ph.o get_mo_rdm_pp.o ao_rdm_write.o tce_prop_start.o tce_property.o tce_diagnose_t1.o tce_fourindex_driver.o tce_fock_create.o tce_multipole_create.o tce_reference_check.o tce_fourindex_cleanup.o tce_fock_destroy.o tce_multipole_destroy.o tce_create_t1.o tce_create_t2.o tce_create_t3.o tce_create_t4.o tce_create_x1.o tce_create_x2.o tce_create_x3.o tce_create_x4.o tce_create_y1.o tce_create_y2.o tce_create_y3.o tce_create_y4.o tce_clone_x1.o tce_clone_x2.o tce_clone_x3.o tce_clone_x4.o tce_clone_y1.o tce_clone_y2.o tce_clone_y3.o tce_clone_y4.o tce_t1_offset_new.o tce_t2_offset_new.o tce_t3_offset_new.o tce_t4_offset_new.o tce_x1_offset_new.o tce_x2_offset_new.o tce_x3_offset_new.o tce_x4_offset_new.o tce_y1_offset_new.o tce_y2_offset_new.o tce_y3_offset_new.o tce_y4_offset_new.o tce_ccsd_driver.o tce_ccsdt_driver.o tce_ccsdtq_driver.o tce_ccsd_perturbative.o tce_ccsd_lambda_perturbative.o tce_ccsd_lambda_driver.o tce_ccsdt_lambda_driver.o tce_ccsdtq_lambda_driver.o tce_ccsd_response_driver.o tce_ccsdt_response_driver.o tce_ccsdtq_response_driver.o tce_ccsd_symm_polar.o tce_ccsdt_symm_polar.o tce_ccsdtq_symm_polar.o tce_ccsd_lambda_response_driver.o tce_ccsd_asym_polar.o tce_ccsd_hyperpolar.o tce_ao2e_new.o tce_mo2e_new.o tce_tile_new.o tce_init_new.o tce_mo2e_zones_4a_disk_4s_new_patch.o tce_mo2e_zones_4a_disk_4s_new_patch_m2.o tce_mo2e_zones_4a_disk_4s_new_patch_m3.o tce_ao2e_disk.o tce_mo2e_disk.o tce_mo2e_disk_2eorb.o tce_mo2e_incore_2eorb.o tce_mo2e_incore_2eorb_split.o tce_mo2e_hybrid_2eorb_split.o tce_mo2e_offset_intorb_hybrid.o tce_mo2e_2emet3.o tce_mo2e_2emet3_n5.o tce_mo2e_2emet4.o tce_mo2e_2emet4_n5.o get_hash_block_ma.o ccsd_energy_loc.o cc2_energy.o ccsd_lambda.o ccsd_lr_alpha.o ccsd_qr_beta.o tce_dgeev.o tce_schmidt.o tensor_read_write.o tce_diis_act.o tce_mo2e_zones_4a_disk_ga_act.o tce_mo2e_zones_4a_disk_ga_chop_act.o tce_t2a_offset.o tce_x2a_offset.o new_ga4ind_N5.o new4ind_N5_osu.o tce_mo2e_zones_4a_disk_ga_N5.o tce_mo2e_zones_4a_disk_ga_chop_N5.o tce_eom_xguess.o tce_eom_yguess.o ma_transpose.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libtce.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce' Making libraries in bq make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/bq' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/bq' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/bq' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/bq' Making libraries in mm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mm' Compiling mm_input.F... Compiling mm_data.F... Compiling mm_coords.F... Compiling mm_vdw.F... mm_data.F:574:51: 574 | if(.not. rtdb_get(rtdb,'qmmm:qm_en',mt_dbl,1,eqmtot)) | 1 ...... 704 | if(.not.rtdb_get(rtdb,'neb:ibead',mt_int,1,ibead)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). mm_data.F:418:29: 289 | call ga_brdcst(msg_smd,e, | 2 ...... 418 | call ga_brdcst(msg_smd,g, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling mm_bond.F... Compiling mm_bond_coords.F... mm_bond.F:1508:72: 1508 | xij = br(1,i1)-br(1,i2) | ^ Warning: 'i1' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1454:16: 1454 | integer i1, i2, i3, i4 | ^ note: 'i1' was declared here mm_bond.F:1508:72: 1508 | xij = br(1,i1)-br(1,i2) | ^ Warning: 'i2' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1454:20: 1454 | integer i1, i2, i3, i4 | ^ note: 'i2' was declared here mm_bond.F:1511:72: 1511 | xkj = br(1,i3)-br(1,i2) | ^ Warning: 'i3' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1454:24: 1454 | integer i1, i2, i3, i4 | ^ note: 'i3' was declared here mm_bond.F:1514:72: 1514 | xkl = br(1,i3)-br(1,i4) | ^ Warning: 'i4' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1454:28: 1454 | integer i1, i2, i3, i4 | ^ note: 'i4' was declared here mm_bond.F:1170:72: 1170 | xij = br(1,i1) - br(1,i2) | ^ Warning: 'i1' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1140:16: 1140 | integer i1, i2, i3 | ^ note: 'i1' was declared here mm_bond.F:1170:72: 1170 | xij = br(1,i1) - br(1,i2) | ^ Warning: 'i2' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1140:20: 1140 | integer i1, i2, i3 | ^ note: 'i2' was declared here mm_bond.F:1173:72: 1173 | xkj = br(1,i3) - br(1,i2) | ^ Warning: 'i3' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1140:24: 1140 | integer i1, i2, i3 | ^ note: 'i3' was declared here Compiling mm_link.F... mm_bond.F:1651:72: 1651 | xij = br(1,i1)-br(1,i2) | ^ Warning: 'i1' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1597:16: 1597 | integer i1, i2, i3, i4 | ^ note: 'i1' was declared here mm_bond.F:1651:72: 1651 | xij = br(1,i1)-br(1,i2) | ^ Warning: 'i2' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1597:20: 1597 | integer i1, i2, i3, i4 | ^ note: 'i2' was declared here mm_bond.F:1654:72: 1654 | xkj = br(1,i3)-br(1,i2) | ^ Warning: 'i3' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1597:24: 1597 | integer i1, i2, i3, i4 | ^ note: 'i3' was declared here mm_bond.F:1657:72: 1657 | xkl = br(1,i3)-br(1,i4) | ^ Warning: 'i4' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1597:28: 1597 | integer i1, i2, i3, i4 | ^ note: 'i4' was declared here mm_bond.F:1258:72: 1258 | xij = br(1,i1) - br(1,i2) | ^ Warning: 'i1' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1226:16: 1226 | integer i1, i2, i3 | ^ note: 'i1' was declared here mm_bond.F:1258:72: 1258 | xij = br(1,i1) - br(1,i2) | ^ Warning: 'i2' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1226:20: 1226 | integer i1, i2, i3 | ^ note: 'i2' was declared here mm_bond.F:1261:72: 1261 | xkj = br(1,i3) - br(1,i2) | ^ Warning: 'i3' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1226:24: 1226 | integer i1, i2, i3 | ^ note: 'i3' was declared here Compiling mm_geom.F... mm_link.F:550:49: 24 | if(.not.rtdb_get(rtdb,'mm:qmlink',mt_log,1,qmlink)) | 2 ...... 550 | if(.not.rtdb_get(rtdb,'mm:cutoff',mt_dbl,1,cut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). mm_link.F:365:72: 365 | r1(1) = dbl_mb(i_rvdw14+(i_i-1)*3)*scale | ^ Warning: 'i_i' may be used uninitialized [-Wmaybe-uninitialized] mm_link.F:297:17: 297 | integer i_i, i_j | ^ note: 'i_i' was declared here mm_link.F:368:72: 368 | r2(1) = dbl_mb(i_rvdw14+(i_j-1)*3)*scale | ^ Warning: 'i_j' may be used uninitialized [-Wmaybe-uninitialized] mm_link.F:297:22: 297 | integer i_i, i_j | ^ note: 'i_j' was declared here mm_link.F:487:72: 487 | r1(1) = dbl_mb(i_rvdw14+(i_i-1)*3)*scale | ^ Warning: 'i_i' may be used uninitialized [-Wmaybe-uninitialized] mm_link.F:420:17: 420 | integer i_i, i_j | ^ note: 'i_i' was declared here mm_link.F:490:72: 490 | r2(1) = dbl_mb(i_rvdw14+(i_j-1)*3)*scale | ^ Warning: 'i_j' may be used uninitialized [-Wmaybe-uninitialized] mm_link.F:420:22: 420 | integer i_i, i_j | ^ note: 'i_j' was declared here Compiling mm_vdw_coords.F... mm_link.F:828:72: 828 | rh = rq - (rq-rl)*a | ^ Warning: 'rl' may be used uninitialized [-Wmaybe-uninitialized] mm_link.F:812:28: 812 | double precision rq,rl,rh | ^ note: 'rl' was declared here mm_link.F:828:72: 828 | rh = rq - (rq-rl)*a | ^ Warning: 'rq' may be used uninitialized [-Wmaybe-uninitialized] mm_link.F:812:25: 812 | double precision rq,rl,rh | ^ note: 'rq' was declared here Compiling mm_bq.F... Compiling mm_neb.F... Compiling mm_cons.F... mm_neb.F:46:52: 46 | if(.not.rtdb_get(rtdb,'neb:nbeads',mt_int,1,nbeads)) | 1 ...... 194 | if(.not.rtdb_get(rtdb,'mm:scnb_adjust',mt_log,1,scnb_adj)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). mm_neb.F:143:72: 143 | & call errquit("error getting crdparm "//pname,0 -1) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) mm_cons.F:68:29: 35 | if (.not. rtdb_get(irtdb,'qmmm:n_spring',mt_int,1,ns)) | 2 ...... 68 | + ns,dbl_mb(i_as))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mm' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libmm.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libmm.a mm_input.o mm_data.o mm_coords.o mm_vdw.o mm_bond.o mm_bond_coords.o mm_link.o mm_geom.o mm_vdw_coords.o mm_bq.o mm_neb.o mm_cons.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libmm.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libmm.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libmm.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mm' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mm' Making libraries in cons make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cons' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cons' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cons' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cons' Making libraries in perfm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/perfm' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/perfm' make[4]: '/build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libperfm.a' is up to date. make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/perfm' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/perfm' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/perfm' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/perfm' Making libraries in dntmc make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dntmc' Compiling dntmc_input.F... dntmc_input.F:48:13: 48 | & nspecies)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:58:13: 58 | & nob)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:91:13: 91 | & temp)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dntmc_input.F:101:13: 101 | & mcsteps)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:133:11: 133 | & 0)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:144:13: 144 | & mprnt)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:155:11: 155 | & procrestart)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dntmc_setgeom.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dntmc' Compiling gibbs.F... gibbs.F:2893:41: 2892 | call ga_brdcst(msg_dntmc0+MSGDBL, PERCENT, mdtob(1), 0) | 2 2893 | call ga_brdcst(msg_dntmc1+MSGDBL, NDA, mdtob(NOB*nspc), 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) gibbs.F:2894:41: 2892 | call ga_brdcst(msg_dntmc0+MSGDBL, PERCENT, mdtob(1), 0) | 2 2893 | call ga_brdcst(msg_dntmc1+MSGDBL, NDA, mdtob(NOB*nspc), 0) 2894 | call ga_brdcst(msg_dntmc2+MSGDBL, NDSIG, mdtob(NOB*nspc), 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) gibbs.F:4068:61: 2728 | & , dynamic)) | 2 ...... 4068 | if (.not. rtdb_get(rtdb, 'task:energy', mt_dbl, 1, unew)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gibbs.F:1195:45: 1195 | call ga_put(g_proc,myid+1,myid+1,1,1,util_sgroup_mygroup(),ld) | 1 ...... 2877 | call ga_put(g_pr,ilo,ihi,jlo,jhi,NUMBERAVR,ld) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). gibbs.F:1199:43: 1199 | call ga_get(g_proc,1,inodesbig,1,1,bigproc,ld) | 1 ...... 2882 | call ga_get(g_pr,ilo,ihi,jlo,jhi,TESTME,ld) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). gibbs.F:1223:72: 1223 | &ga_destroy(g_proc) failed', GA_ERR) | 1 Warning: Missing actual argument for argument '_formal_3' at (1) gibbs.F:929:9: 929 | & dntSEED(1))) | 1 ...... 1546 | if(.not. rtdb_put(rtdb,'rtdb:stored:state',mt_log,3,ostate)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gibbs.F:4594:72: 4594 | NUMBER(I,J) = NUMBER(I,J) + 1 | ^ Warning: 'spctagpoint' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:4549:36: 4549 | integer spctagsum, spctagpoint | ^ note: 'spctagpoint' was declared here gibbs.F:4115:72: 4115 | DIST = DISTcalc(1) | ^ Warning: 'MEM[(real(kind=8)[0:D.5799] *)_572][0]' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:3322:72: 3322 | DIST = DISTcalc(1) | ^ Warning: 'MEM[(real(kind=8)[0:D.6482] *)_548][0]' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:1674:72: 1674 | DIST = DISTcalc(1) | ^ Warning: 'MEM[(real(kind=8)[0:D.7228] *)_493][0]' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:1914:27: 1914 | IF((CONT2 .eq. 0).or.(new_markov_chain)) then | ^ Warning: 'new_markov_chain' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:1462:30: 1462 | logical new_markov_chain | ^ note: 'new_markov_chain' was declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dntmc' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dntmc' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdntmc.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdntmc.a dntmc_input.o dntmc_setgeom.o gibbs.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdntmc.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdntmc.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdntmc.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dntmc' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dntmc' Making libraries in dangchang make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dangchang' Compiling dc_initialize.F... Compiling dc_setgeom.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dangchang' Compiling dc_energy.F... dc_energy.F:445:58: 441 | if (.not. rtdb_put(rtdb,'dangchang:energy',mt_dbl,1,UU)) | 2 ...... 445 | if (.not. rtdb_put(rtdb,'dangchang:dipole',mt_dbl,3,DCDIP)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dangchang' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dangchang' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdangchang.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdangchang.a dc_initialize.o dc_setgeom.o dc_energy.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdangchang.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdangchang.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdangchang.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dangchang' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dangchang' Making libraries in ccca make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ccca' Compiling task_ccca.F... task_ccca.F:69:27: 45 | + call errquit('task_ccca: rtdb_cput failed',0,RTDB_ERR) | 2 ...... 69 | + 'available.',0,RTDB_ERR) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(10)/INTEGER(8)). task_ccca.F:69:72: 69 | + 'available.',0,RTDB_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) task_ccca.F:77:72: 77 | + 'recognized.',0,RTDB_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) task_ccca.F:140:56: 99 | call ccca_err(rtdb_put(rtdb,'ccca:restart',MT_LOG,1,.true.), | 2 ...... 140 | call ccca_err(rtdb_put(rtdb,'ccca:stage',MT_INT,1,0),errcode) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ccca_utils.F... ccca_utils.F:1476:51: 1469 | if (.not.rtdb_put(rtdb,'ccca:nopen',mt_int,1,nopen)) | 2 ...... 1476 | if (.not.rtdb_put(rtdb,'ccca:therm',mt_log,1,therm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). ccca_utils.F:1013:60: 1011 | if (rtdb_get(rtdb,'ccca:restart',MT_LOG,1,restart)) then | 2 1012 | if (restart) 1013 | $ call ccca_err(rtdb_get(rtdb,'ccca:stage',MT_INT,1,stage),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ccca' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libccca.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libccca.a task_ccca.o ccca_utils.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libccca.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libccca.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libccca.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ccca' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ccca' Making libraries in dimqm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dimqm' Compiling dimqm_input.F... dimqm_input.F:159:55: 153 | if (.not. rtdb_put(rtdb, 'dimqm:ldimqm', mt_log, 1, ldimqm)) | 2 ...... 159 | if (.not. rtdb_put(rtdb, 'dimqm:alg', mt_int, 1, alg)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dimpar_input.F... dimpar_input.F:265:38: 259 | $ mt_dbl, 3*iexp, expdata(1:3, 1:iexp))) | 2 ...... 265 | $ mt_int, 1, iexp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dimqm_prep.F... dimqm_prep.F:238:33: 235 | $ mt_int, 1, iexp)) | 2 ...... 238 | $ 3*iexp, rawexpdie(1:3,1:iexp))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dimqm_prep.F:68:63: 68 | if(.not. rtdb_get(rtdb,'dimpar:typeindex', mt_int, nDIM, tx)) | 1 ...... 235 | $ mt_int, 1, iexp)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_prep.F:174:52: 162 | call ga_put(g_DIM_diag, i+1, i+1, 1, 1, polc, 1) | 2 ...... 174 | call ga_put(g_DIM_diag, i+1, i+1, 1, 1, polr, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling dimqm_main.F... dimqm_main.F:89:55: 81 | if(.not. rtdb_get(rtdb,'dimpar:coords',mt_dbl,i3,dimxyz)) | 2 ...... 89 | if(.not. rtdb_get(rtdb,'dimqm:lfirst',mt_log, 1, lfirst)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). dimqm_main.F:191:58: 165 | if(.not.rtdb_put(rtdb,'dimqm:muind',mt_dbl,i3, muind)) | 2 ...... 191 | if (.not. rtdb_put(rtdb, 'dimqm:edimqm', MT_DBL, 1, edimqm)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_main.F:220:58: 165 | if(.not.rtdb_put(rtdb,'dimqm:muind',mt_dbl,i3, muind)) | 2 ...... 220 | if (.not. rtdb_put(rtdb, 'dimqm:lfirst', mt_log, 1, lfirst)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). dimqm_main.F:244:72: 244 | $ call errquit("dimqm_main: can't free l_muold", MA_ERR) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dimqm_main.F:246:72: 246 | $ call errquit("dimqm_main: can't free l_eqmn", MA_ERR) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling dimqm_polarizability.F... Compiling dimqm_f2d.F... Compiling dimqm_iterative.F... Compiling qmr_real.F... Compiling qmr_complex.F... qmr_complex.F:215:41: 144 | call ga_add(ONE_C, g_work(3), -dtmp, g_work(4), g_work(4)) | 2 ...... 215 | call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling matvecReal.F... matvecReal.F:59:62: 58 | stat = rtdb_get(rtdb, 'dimpar:sPol', mt_dbl, nDIMTypes, sPol) | 2 59 | stat = rtdb_get(rtdb, 'dimpar:typeindex', mt_int, nDIM, tx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling matvecComplex.F... matvecComplex.F:63:62: 62 | stat = rtdb_get(rtdb, 'dimpar:sPol', mt_dbl, nDIMTypes, sPol) | 2 63 | stat = rtdb_get(rtdb, 'dimpar:typeindex', mt_int, nDIM, tx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dimqm_EqmE.F... Compiling t2.F... Compiling pphilo.F... Compiling dimqm_fldpot.F... Compiling dimqm_EqmN.F... Compiling dimqm_printAtomicDipoles.F... dimqm_printAtomicDipoles.F:63:23: 60 | if(.not.rtdb_get(rtdb,'dimpar:typeindex',mt_int,nDIM,tx)) | 2 ...... 63 | $ elements)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(1)/INTEGER(8)). Compiling dimqm_energy.F... Compiling dimqm_printDipole.F... Compiling dimqm_Dens2Dipoles.F... Compiling dimqm_indDipoles.F... Compiling dimqm_printAtoms.F... dimqm_printAtoms.F:39:59: 37 | $ elements)) | 2 38 | $ call errquit('dimqm_print get names failed',1,RTDB_ERR) 39 | if(.not.rtdb_get(rtdb,'dimpar:typeindex',mt_int,nDIM,tx)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/CHARACTER(*)). Compiling dimqm_addop.F... dimqm_addop.F:294:63: 156 | if (.not.rtdb_get(dimqm_rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 294 | if(.not.rtdb_get(dimqm_rtdb,'dimpar:coords', mt_dbl, i3, dimxyz)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) dimqm_addop.F:333:48: 156 | if (.not.rtdb_get(dimqm_rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 333 | $ mt_dbl, i3, muold(:,:,1))) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) dimqm_addop.F:351:45: 156 | if (.not.rtdb_get(dimqm_rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 351 | $ mt_dbl, i3, muold(:,:,2))) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) dimqm_addop.F:581:33: 576 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 581 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop.F:582:33: 577 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 582 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop.F:598:33: 576 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 598 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop.F:599:33: 577 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 599 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dimqm_lclfld.F... dimqm_lclfld.F:199:21: 81 | call ga_zero(g_dipel_i) | 2 ...... 199 | call ga_zero(g_dim_r) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling seeded_qmr_real.F... seeded_qmr_real.F:121:38: 109 | if(.not.rtdb_get(rtdb,'seed:k'//dir, mt_int, 1, k)) | 2 ...... 121 | $ mt_dbl, 1, sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmr_seed_real.F... qmr_seed_real.F:188:37: 97 | if(.not.rtdb_put(rtdb,'seed:k'//dir, mt_int, 1, niter)) | 2 ...... 188 | $ mt_dbl, 1,sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling seeded_qmr_real_augment.F... seeded_qmr_real_augment.F:130:62: 120 | if(.not.rtdb_get(rtdb,'seed:k', mt_int, 1, k)) | 2 ...... 130 | if(.not.rtdb_get(rtdb,'seed:sin'//CHAR(j), mt_dbl, 1, sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). seeded_qmr_real_augment.F:342:49: 243 | if(.not.rtdb_put(rtdb,'seed:sin'//CHAR(k), mt_dbl, 1, sinn)) | 2 ...... 342 | if(.not.rtdb_put(rtdb,'seed:k', mt_int, 1, k)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dimqm_tidy.F... Compiling qmr_seed_complex.F... qmr_seed_complex.F:202:36: 199 | $ mt_dcpl, 1, sinn)) | 2 ...... 202 | $ mt_dbl, 1, cosn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). qmr_seed_complex.F:263:41: 154 | call ga_add(ONE_C, g_work(3), -dtmp, g_work(4), g_work(4)) | 2 ...... 263 | call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling seeded_qmr_complex.F... seeded_qmr_complex.F:128:37: 116 | if(.not.rtdb_get(rtdb,'seed:k'//dir//'c', mt_int, 1, k)) | 2 ...... 128 | $ mt_dcpl, 1, sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/INTEGER(8)). seeded_qmr_complex.F:155:34: 154 | call ga_brdcst(msg_dimqm, sinn, mdtob(2), 0) | 2 155 | call ga_brdcst(msg_dimqm, cosn, mdtob(1), 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). seeded_qmr_complex.F:292:41: 163 | call ga_add(ONE_C, g_work(1), dtmp, g_work(5), g_work(1)) | 2 ...... 292 | call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling dimqm_broadcast.F... dimqm_broadcast.F:33:32: 13 | call ga_brdcst(msg_dimqm, ldimqm, 1, 0) | 2 ...... 33 | call ga_brdcst(msg_dimqm, alg, mitob1, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling CubicSpline.F... Compiling dim_fock_xc.F... Compiling dim_getv.F... dim_getv.F:107:72: 107 | & time2_xc-time1_xc | ^ Warning: 'time1_xc' may be used uninitialized [-Wmaybe-uninitialized] dim_getv.F:78:31: 78 | double precision time1_xc,time2_xc | ^ note: 'time1_xc' was declared here dim_getv.F:107:72: 107 | & time2_xc-time1_xc | ^ Warning: 'time2_xc' may be used uninitialized [-Wmaybe-uninitialized] dim_getv.F:78:40: 78 | double precision time1_xc,time2_xc | ^ note: 'time2_xc' was declared here Compiling dim_tabcd.F... Compiling dim_eval_fnl.F... Compiling dim_grid_quadv0.F... dim_grid_quadv0.F:279:24: 111 | if (.not.rtdb_get(rtdb,'dft:largenode', mt_log, 1, largenode)) | 2 ...... 279 | $ dbl_mb(k_dimxyz))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dim_grid_quadv0.F:7:37: 7 | call dim_grid_quadv0_gen(rtdb, g_vdim, 1, 1, .false., 0, 1) | 1 Warning: Rank mismatch in argument 'g_vdim' at (1) (scalar and rank-1) Compiling dim_grid_quadv0a.F... Compiling dim_grid_quadv0b.F... Compiling dimqm_seeding.F... Compiling dimqm_rohf.F... dimqm_rohf.F:136:59: 44 | if(.not. rtdb_put(rtdb, 'dimqm:lfirst', mt_log, 1, lfirst)) | 2 ...... 136 | if (.not. rtdb_put(rtdb, 'dimqm:g_dim', mt_int, 1, g_dim)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dimqm_util.F... dimqm_util.F:73:57: 67 | if (.not. rtdb_get(rtdb, 'dimqm:ldimqm', mt_log, 1, ldimqm)) | 2 ...... 73 | if (.not. rtdb_get(rtdb, 'dimpar:ndim', mt_int, 1, ndim)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dimqm_addop_uhf.F... dimqm_addop_uhf.F:454:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 454 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:455:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 455 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop_uhf.F:471:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 471 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:472:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 472 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop_uhf.F:979:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 979 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:980:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 980 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop_uhf.F:998:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 998 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:999:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 999 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dimqm' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdimqm.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdimqm.a dimqm_input.o dimpar_input.o dimqm_prep.o dimqm_main.o dimqm_polarizability.o dimqm_f2d.o dimqm_iterative.o qmr_real.o qmr_complex.o matvecReal.o matvecComplex.o dimqm_EqmE.o t2.o pphilo.o dimqm_fldpot.o dimqm_EqmN.o dimqm_printAtomicDipoles.o dimqm_energy.o dimqm_printDipole.o dimqm_Dens2Dipoles.o dimqm_indDipoles.o dimqm_printAtoms.o dimqm_addop.o dimqm_lclfld.o seeded_qmr_real.o qmr_seed_real.o seeded_qmr_real_augment.o dimqm_tidy.o qmr_seed_complex.o seeded_qmr_complex.o dimqm_broadcast.o CubicSpline.o dim_fock_xc.o dim_getv.o dim_tabcd.o dim_eval_fnl.o dim_grid_quadv0.o dim_grid_quadv0a.o dim_grid_quadv0b.o dimqm_seeding.o dimqm_rohf.o dimqm_util.o dimqm_addop_uhf.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdimqm.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdimqm.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libdimqm.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dimqm' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dimqm' Making libraries in fcidump make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fcidump' Compiling fcidump_inp.F... Compiling task_fcidump.F... task_fcidump.F:78:11: 50 | if (.not. rtdb_get(rtdb, 'fcidump:mos', mt_log, 1, molecorb)) | 2 ...... 78 | $ vir_frozen)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_fcidump.F:88:11: 73 | $ occ_frozen)) | 2 ...... 88 | $ .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling fcidump_header.F... fcidump_header.F:104:56: 86 | if (.not. rtdb_get(rtdb, 'charge', MT_DBL, 1, charge)) | 2 ...... 104 | if (.not. rtdb_get(rtdb, 'dft:mult', MT_INT, 1,mult)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fcidump' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libfcidump.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libfcidump.a fcidump_inp.o task_fcidump.o fcidump_header.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libfcidump.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libfcidump.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libfcidump.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fcidump' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fcidump' Making libraries in gwmol make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/gwmol' Compiling gwmol.F... Compiling ga_chol_inv_seq.F... Compiling gw_input.F... gw_input.F:64:54: 62 | if (.not.rtdb_put(rtdb, 'gw:evgw0', mt_log, 1, .true.)) | 2 63 | $ call errquit('gw_input: rtdb_put failed', 100, RTDB_ERR) 64 | if (.not.rtdb_put(rtdb, 'gw:eviter', mt_int, 1, eviter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). gw_input.F:146:26: 57 | 100 if (.not. inp_i(eviter)) then | 2 ...... 146 | if (.not. inp_i(noqp)) goto 8200 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_input.F:150:26: 57 | 100 if (.not. inp_i(eviter)) then | 2 ...... 150 | if (.not. inp_i(nvqp)) goto 8200 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_input.F:162:26: 57 | 100 if (.not. inp_i(eviter)) then | 2 ...... 162 | if (.not. inp_i(noqp)) goto 8200 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_input.F:166:26: 57 | 100 if (.not. inp_i(eviter)) then | 2 ...... 166 | if (.not. inp_i(nvqp)) goto 8200 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling gw_defaults.F... gw_defaults.F:29:46: 20 | ok = rtdb_put(rtdb,'gw:evgw0',mt_log,1,.false.).and. | 2 ...... 29 | & rtdb_put(rtdb,'gw:eviter',mt_int,1,4).and. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling gw_init.F... gw_init.F:83:56: 80 | if (.not.rtdb_get(pars%rtdb,'gw:init',mt_log,1,init)) | 2 ...... 83 | if (.not.rtdb_get(pars%rtdb,'dft:energy',mt_dbl,1,pars%escf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gw_init.F:325:34: 165 | call int_init(pars%rtdb, 1, cd_bas_han) | 2 ...... 325 | call int_init(pars%rtdb, 2, (/ao_bas_han, cd_bas_han/)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling gw_finalize.F... Compiling gw_memory.F... Compiling gw_vxc.F... Compiling gw_donewton.F... Compiling gw_cdgw.F... Compiling gw_cdgw_buildin.F... Compiling gw_cdgw_newton.F... gw_cdgw_newton.F:87:28: 86 | call ga_brdcst(1038,nclusters,ma_sizeof(mt_int,1,mt_byte),0) | 2 87 | call ga_brdcst(1038,clusters, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_cdgw_newton.F:173:32: 86 | call ga_brdcst(1038,nclusters,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 173 | call ga_brdcst(1038,lvars,2*logs,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling gw_cdgw_graph.F... gw_cdgw_graph.F:200:32: 182 | call ga_brdcst(1038,lvars,2*logs,0) | 2 ...... 200 | call ga_brdcst(1038,eout,ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gw_cdgw_graph.F:326:72: 326 | $ resmat(1:npoints,iqp) ),dim=1)) | ^ Warning: 'npoints' may be used uninitialized [-Wmaybe-uninitialized] gw_cdgw_graph.F:33:61: 33 | integer llqp, ulqp, ipoints, icluster, qplimit, npoints | ^ note: 'npoints' was declared here gw_cdgw_graph.F:328:72: 328 | $ resmat(1:npoints,iqp))),2*nspace) | ^ Warning: 'nspace' may be used uninitialized [-Wmaybe-uninitialized] gw_cdgw_graph.F:35:60: 35 | double precision timer, timer2, rms3(3), const, nspace | ^ note: 'nspace' was declared here Compiling gw_analytic.F... Compiling gw_analytic_newton.F... gw_analytic_newton.F:104:28: 103 | call ga_brdcst(1038,nclusters,ma_sizeof(mt_int,1,mt_byte),0) | 2 104 | call ga_brdcst(1038,clusters, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_analytic_newton.F:204:32: 103 | call ga_brdcst(1038,nclusters,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 204 | call ga_brdcst(1038,lvars,2*logs,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling gw_analytic_graph.F... gw_analytic_graph.F:141:32: 128 | call ga_brdcst(1038,converged,logs,0) | 2 ...... 141 | call ga_brdcst(1038,eout,ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/gwmol' Compiling gw_ri_init.F... Compiling gw_invdiag.F... gw_ri_init.F:188:72: 188 | offk = k_buf + offset*nij | ^ Warning: 'offset' may be used uninitialized [-Wmaybe-uninitialized] gw_ri_init.F:31:39: 31 | integer g_3ceris,shlo,shhi,offset,ld | ^ note: 'offset' was declared here Compiling gw_tools.F... Compiling gw_analytic_wmn.F... Compiling gw_analytic_sigmac.F... Compiling gw_analytic_addrpa.F... Compiling gw_analytic_ovscale.F... Compiling gw_analytic_rpa.F... Compiling gw_analytic_scalxpy.F... Compiling gw_analytic_sigmac_graph.F... Compiling gw_minres.F... gw_minres.F:96:46: 96 | call gw_aprod(OV1,factor,x,y,-4d0,0d0,npoles,n) | 1 Warning: Rank mismatch in argument 'npoles' at (1) (scalar and rank-1) gw_minres.F:98:46: 98 | call gw_aprod(OV1,factor,x,y,-2d0,0d0,npoles,n) | 1 Warning: Rank mismatch in argument 'npoles' at (1) (scalar and rank-1) gw_minres.F:170:47: 170 | call gw_aprod(OV1,factor,v,y,4d0,0d0,npoles,n) | 1 Warning: Rank mismatch in argument 'npoles' at (1) (scalar and rank-1) gw_minres.F:172:47: 172 | call gw_aprod(OV1,factor,v,y,2d0,0d0,npoles,n) | 1 Warning: Rank mismatch in argument 'npoles' at (1) (scalar and rank-1) gw_minres.F:344:28: 291 | call ga_brdcst(1038,istop,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 344 | call ga_brdcst(1038,x,ma_sizeof(mt_dbl,n,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling gw_cdgw_buildrn_graph.F... Compiling gw_cdgw_buildiw.F... Compiling gw_cdgw_buildin_graph.F... Compiling gw_cdgw_buildpi.F... Compiling gw_cdgw_buildrn_minres.F... gw_cdgw_buildpi.F:298:20: 298 | elseif (dorfp) then | ^ Warning: 'dorfp' may be used uninitialized [-Wmaybe-uninitialized] gw_cdgw_buildpi.F:40:22: 40 | logical ok,dorfp | ^ note: 'dorfp' was declared here gw_cdgw_buildrn_minres.F:207:28: 173 | call ga_brdcst(1038,skip,ma_sizeof(mt_log,1,mt_byte),0) | 2 ...... 207 | call ga_brdcst(1038,vector,ma_sizeof(mt_dbl,nri,mt_byte),root) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gw_cdgw_buildrn_minres.F:192:72: 192 | $ (0.5d0/(temp - arg))**2) ) | ^ Warning: 'dfactor.offset' may be used uninitialized [-Wmaybe-uninitialized] gw_cdgw_buildrn_minres.F:57:71: 57 | ISOGW,allocatable,dimension(:,:) :: factor, dfactor | ^ note: 'dfactor.offset' was declared here gw_cdgw_buildrn_minres.F:192:72: 192 | $ (0.5d0/(temp - arg))**2) ) | ^ Warning: 'dfactor.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] gw_cdgw_buildrn_minres.F:57:71: 57 | ISOGW,allocatable,dimension(:,:) :: factor, dfactor | ^ note: 'dfactor.dim[1].stride' was declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/gwmol' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/gwmol' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libgwmol.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libgwmol.a gwmol.o ga_chol_inv_seq.o gw_input.o gw_defaults.o gw_init.o gw_finalize.o gw_memory.o gw_vxc.o gw_donewton.o gw_cdgw.o gw_cdgw_buildin.o gw_cdgw_newton.o gw_cdgw_graph.o gw_analytic.o gw_analytic_newton.o gw_analytic_graph.o gw_ri_init.o gw_invdiag.o gw_tools.o gw_analytic_wmn.o gw_analytic_sigmac.o gw_analytic_addrpa.o gw_analytic_ovscale.o gw_analytic_rpa.o gw_analytic_scalxpy.o gw_analytic_sigmac_graph.o gw_minres.o gw_cdgw_buildrn_graph.o gw_cdgw_buildiw.o gw_cdgw_buildin_graph.o gw_cdgw_buildpi.o gw_cdgw_buildrn_minres.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libgwmol.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libgwmol.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libgwmol.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/gwmol' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/gwmol' Making libraries in 64to32blas make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:300: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:300: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:300: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:300: warning: ignoring old recipe for target '32_to_64' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:300: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:300: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:300: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:300: warning: ignoring old recipe for target '32_to_64' Compiling yscal.F... Compiling ycopy.F... Compiling ydot.F... Compiling ygemm.F... Compiling ygemv.F... Compiling iyamax.F... Compiling ygesv.F... Compiling ygesvd.F... Compiling yaxpy.F... Compiling yspsvx.F... Compiling yposv.F... Compiling ysyev.F... Compiling ysyevd.F... Compiling yger.F... Compiling yrot.F... Compiling ylaset.F... Compiling yswap.F... Compiling ygebak.F... Compiling ygebal.F... Compiling ynrm2.F... Compiling ylacpy.F... Compiling ylascl.F... Compiling ylange.F... Compiling ytrevc.F... Compiling yhseqr.F... Compiling yorghr.F... Compiling ygehrd.F... Compiling ysterf.F... Compiling ylarnv.F... Compiling ylagtf.F... Compiling ylagts.F... Compiling yasum.F... Compiling ypotri.F... Compiling ypotrf.F... Compiling ysygv.F... Compiling ygeev.F... Compiling ygeevx.F... Compiling ygels.F... Compiling ygelss.F... Compiling ygtsv.F... Compiling ypftrf.F... Compiling ypftri.F... Compiling ytfsm.F... Compiling ygetrf.F... Compiling ygetri.F... Compiling ygetrs.F... Compiling ifily.F... Compiling jscal.F... Compiling jaxpy.F... Compiling jgemm.F... Compiling jheev.F... Compiling jcopy.F... Compiling jdotc.F... Compiling ijamax.F... Compiling jgesvd.F... Compiling jgeev.F... Compiling jgetrs.F... Compiling jgetrf.F... Compiling jlacpy.F... Compiling ysfrk.F... Compiling ysysv.F... Compiling ysytrf.F... Compiling ysytrs.F... Compiling ysymm.F... Compiling ysymv.F... Compiling ysyr2k.F... Compiling ytrmm.F... Compiling ytrtri.F... Compiling jlacp2.F... Compiling ysyrk.F... Compiling jsyrk.F... Compiling jsysv.F... Compiling jsytrf.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/64to32blas' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:300: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:300: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:300: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:300: warning: ignoring old recipe for target '32_to_64' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/lib64to32.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/lib64to32.a yscal.o ycopy.o ydot.o ygemm.o ygemv.o iyamax.o ygesv.o ygesvd.o yaxpy.o yspsvx.o yposv.o ysyev.o ysyevd.o yger.o yrot.o ylaset.o yswap.o ygebak.o ygebal.o ynrm2.o ylacpy.o ylascl.o ylange.o ytrevc.o yhseqr.o yorghr.o ygehrd.o ysterf.o ylarnv.o ylagtf.o ylagts.o yasum.o ypotri.o ypotrf.o ysygv.o ygeev.o ygeevx.o ygels.o ygelss.o ygtsv.o ypftrf.o ypftri.o ytfsm.o ygetrf.o ygetri.o ygetrs.o ifily.o jscal.o jaxpy.o jgemm.o jheev.o jcopy.o jdotc.o ijamax.o jgesvd.o jgeev.o jgetrs.o jgetrf.o jlacpy.o ysfrk.o ysysv.o ysytrf.o ysytrs.o ysymm.o ysymv.o ysyr2k.o ytrmm.o ytrtri.o jlacp2.o ysyrk.o jsyrk.o jsysv.o jsytrf.o ar: creating /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/lib64to32.a echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/lib64to32.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/lib64to32.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/64to32blas' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/64to32blas' make nwchem.o stubs.o make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** gfortran -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O -I. -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/build/reproducible-path/nwchem-7.2.2/build-openmpi'" -DNWCHEM_BRANCH="'7.2.2'" -c -o nwchem.o nwchem.F gfortran -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O -I. -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/build/reproducible-path/nwchem-7.2.2/build-openmpi'" -DNWCHEM_BRANCH="'7.2.2'" -c -o stubs.o stubs.F make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src' gfortran -L/build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64 -L/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu/openmpi/lib/fortran/gfortran -o /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem nwchem.o stubs.o -lnwctask -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lfcidump -lgwmol -lnwcutil -lga-openmpi -lscalapack-openmpi -llapack -lblas -larmci-openmpi -larmci-openmpi -lpeigs -lperfm -lcons -lbq -lnwcutil -lscalapack-openmpi -l64to32 "-llapack" -lblas -llapack -L/usr/lib/aarch64-linux-gnu/openmpi/lib/fortran/gfortran -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lopen-rte -lopen-pal -lhwloc -levent_core -levent_pthreads -lm -lz -lhwloc -larmci-openmpi -lpthread -lnwcutil -L/usr/lib/python3.11/config-3.11-aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lpython3.11 -ldl -lm /bin/rm -f nwchem.o stubs.o make[2]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src' make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/util' Compiling util_module_avail.F... Compiling util_version.F... Compiling util_nwchem_version.F... Compiling util_scalapack_info.F... make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/util' Making all in md5 make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/util/md5' make[3]: '/build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a' is up to date. make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/util' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/util/md5' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/util/md5' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/util/md5' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/util' Got lock on /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a util_module_avail.o util_version.o util_nwchem_version.o util_scalapack_info.o echo /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64/libnwcutil.a make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/util' make[2]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/util' make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** make nwchem.o stubs.o make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** gfortran -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O -I. -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/build/reproducible-path/nwchem-7.2.2/build-openmpi'" -DNWCHEM_BRANCH="'7.2.2'" -c -o nwchem.o nwchem.F gfortran -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O -I. -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/build/reproducible-path/nwchem-7.2.2/build-openmpi'" -DNWCHEM_BRANCH="'7.2.2'" -c -o stubs.o stubs.F make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src' gfortran -L/build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64 -L/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu/openmpi/lib/fortran/gfortran -o /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem nwchem.o stubs.o -lnwctask -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lfcidump -lgwmol -lnwcutil -lga-openmpi -lscalapack-openmpi -llapack -lblas -larmci-openmpi -larmci-openmpi -lpeigs -lperfm -lcons -lbq -lnwcutil -lscalapack-openmpi -l64to32 "-llapack" -lblas -llapack -L/usr/lib/aarch64-linux-gnu/openmpi/lib/fortran/gfortran -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lopen-rte -lopen-pal -lhwloc -levent_core -levent_pthreads -lm -lz -lhwloc -larmci-openmpi -lpthread -lnwcutil -L/usr/lib/python3.11/config-3.11-aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lpython3.11 -ldl -lm make[2]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src' make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64 || mkdir -p /build/reproducible-path/nwchem-7.2.2/build-openmpi/lib/LINUX64 test -d /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64 || mkdir -p /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64 ./util/util_nwchem_version.bash make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** rm -f 64_to_32 make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src' for dir in include basis geom inp input pstat rtdb task symmetry util peigs perfm bq cons NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol 64to32blas; do \ make -C $dir 32_to_64 || exit 1 ; \ done make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include' Nothing to be done make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/include' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/basis' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 bas_blas.F bas_blasP.F basis.F converting bas_blas.F to 32-bit integers for BLAS/LAPACK converting bas_blasP.F to 32-bit integers for BLAS/LAPACK converting basis.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/basis' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/geom' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 geom.F geom_input.F geom_print_ecce.F geom_hnd.F geom_3d.F geom_getsym.F geom_2d.F converting geom.F to 32-bit integers for BLAS/LAPACK converting geom_input.F to 32-bit integers for BLAS/LAPACK converting geom_print_ecce.F to 32-bit integers for BLAS/LAPACK converting geom_hnd.F to 32-bit integers for BLAS/LAPACK converting geom_3d.F to 32-bit integers for BLAS/LAPACK converting geom_getsym.F to 32-bit integers for BLAS/LAPACK converting geom_2d.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/geom' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/inp' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/inp' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/input' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/input' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/pstat' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/pstat' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rtdb' Making 32_to_64 in hdbm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rtdb/hdbm' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rtdb/hdbm' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rtdb' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/task' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 task_num_grad.F task_bsse.F converting task_num_grad.F to 32-bit integers for BLAS/LAPACK converting task_bsse.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/task' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/symmetry' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 sym_bs_irrep.F sym_g_sym.F sym_geom_prj.F sym_mo_adapt.F sym_op_clsfy.F sym_op_mtab.F sym_put_geom.F dosymops.F sym_abelian.F sym_bs_ir_id.F converting sym_bs_irrep.F to 32-bit integers for BLAS/LAPACK converting sym_g_sym.F to 32-bit integers for BLAS/LAPACK converting sym_geom_prj.F to 32-bit integers for BLAS/LAPACK converting sym_mo_adapt.F to 32-bit integers for BLAS/LAPACK converting sym_op_clsfy.F to 32-bit integers for BLAS/LAPACK converting sym_op_mtab.F to 32-bit integers for BLAS/LAPACK converting sym_put_geom.F to 32-bit integers for BLAS/LAPACK converting dosymops.F to 32-bit integers for BLAS/LAPACK converting sym_abelian.F to 32-bit integers for BLAS/LAPACK converting sym_bs_ir_id.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/symmetry' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/util' Making 32_to_64 in md5 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/util/md5' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/util/md5' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 util.fh ga_it_lsolve.F ga_maxelt.F ga_mix.F ga_iter_diag.F ga_orthog.F dabsmax.F ga_normf.F corr_mk_ref.F ga_it2.F ga_lkain_ext.F util_file_name.F dgefa.f util_patch_test.F stpr_sjacobi.F util_dgeev.F util_test_cholesky.F dfill.F ga_lkain_2cpl3_ext.F ga_it2.F util_poltensor.F util_dpofa.F util_dgedi.F ma_solve.F zfill.f util_memcpy.c converting util.fh to 32-bit integers for BLAS/LAPACK converting ga_it_lsolve.F to 32-bit integers for BLAS/LAPACK converting ga_maxelt.F to 32-bit integers for BLAS/LAPACK converting ga_mix.F to 32-bit integers for BLAS/LAPACK converting ga_iter_diag.F to 32-bit integers for BLAS/LAPACK converting ga_orthog.F to 32-bit integers for BLAS/LAPACK converting dabsmax.F to 32-bit integers for BLAS/LAPACK converting ga_normf.F to 32-bit integers for BLAS/LAPACK converting corr_mk_ref.F to 32-bit integers for BLAS/LAPACK converting ga_it2.F to 32-bit integers for BLAS/LAPACK converting ga_lkain_ext.F to 32-bit integers for BLAS/LAPACK converting util_file_name.F to 32-bit integers for BLAS/LAPACK converting dgefa.f to 32-bit integers for BLAS/LAPACK converting util_patch_test.F to 32-bit integers for BLAS/LAPACK converting stpr_sjacobi.F to 32-bit integers for BLAS/LAPACK converting util_dgeev.F to 32-bit integers for BLAS/LAPACK converting util_test_cholesky.F to 32-bit integers for BLAS/LAPACK converting dfill.F to 32-bit integers for BLAS/LAPACK converting ga_lkain_2cpl3_ext.F to 32-bit integers for BLAS/LAPACK converting ga_it2.F to 32-bit integers for BLAS/LAPACK converting util_poltensor.F to 32-bit integers for BLAS/LAPACK converting util_dpofa.F to 32-bit integers for BLAS/LAPACK converting util_dgedi.F to 32-bit integers for BLAS/LAPACK converting ma_solve.F to 32-bit integers for BLAS/LAPACK converting zfill.f to 32-bit integers for BLAS/LAPACK converting util_memcpy.c to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/util' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/peigs' (cd ./src/c; make 32_to_64) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/peigs/src/c' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 *c *f *F converting b_ortho.c to 32-bit integers for BLAS/LAPACK converting chol_bcst.c to 32-bit integers for BLAS/LAPACK converting choleski9.c to 32-bit integers for BLAS/LAPACK converting ci_entry.c to 32-bit integers for BLAS/LAPACK converting clustrf3.c to 32-bit integers for BLAS/LAPACK converting clustrf4.c to 32-bit integers for BLAS/LAPACK converting clustrf5.c to 32-bit integers for BLAS/LAPACK converting clustrfix.c to 32-bit integers for BLAS/LAPACK converting clustrxx3.c to 32-bit integers for BLAS/LAPACK converting clustrxx30.c to 32-bit integers for BLAS/LAPACK converting clustrxx31.c to 32-bit integers for BLAS/LAPACK converting clustrxx33.c to 32-bit integers for BLAS/LAPACK converting clustrxx4.c to 32-bit integers for BLAS/LAPACK converting clustrxx5.c to 32-bit integers for BLAS/LAPACK converting clustrxx99.c to 32-bit integers for BLAS/LAPACK converting conjug22.c to 32-bit integers for BLAS/LAPACK converting de_sym.c to 32-bit integers for BLAS/LAPACK converting exit.c to 32-bit integers for BLAS/LAPACK converting exit2.c to 32-bit integers for BLAS/LAPACK converting forLL.c to 32-bit integers for BLAS/LAPACK converting forLU.c to 32-bit integers for BLAS/LAPACK converting gmax.c to 32-bit integers for BLAS/LAPACK converting inv_it3.c to 32-bit integers for BLAS/LAPACK converting inv_it4.c to 32-bit integers for BLAS/LAPACK converting inv_it44.c to 32-bit integers for BLAS/LAPACK converting inv_it5.c to 32-bit integers for BLAS/LAPACK converting inv_it6.c to 32-bit integers for BLAS/LAPACK converting inverse.c to 32-bit integers for BLAS/LAPACK converting lu_mxm2.c to 32-bit integers for BLAS/LAPACK converting mapchk.c to 32-bit integers for BLAS/LAPACK converting mapdif.c to 32-bit integers for BLAS/LAPACK converting mapdif1.c to 32-bit integers for BLAS/LAPACK converting matmax.c to 32-bit integers for BLAS/LAPACK converting mdif2b.c to 32-bit integers for BLAS/LAPACK converting mdiff1.c to 32-bit integers for BLAS/LAPACK converting mdiff2.c to 32-bit integers for BLAS/LAPACK converting memreq.c to 32-bit integers for BLAS/LAPACK converting memreq2.c to 32-bit integers for BLAS/LAPACK converting memreq_eval.c to 32-bit integers for BLAS/LAPACK converting memreq_f.c to 32-bit integers for BLAS/LAPACK converting mgs4.c to 32-bit integers for BLAS/LAPACK converting mgs5.c to 32-bit integers for BLAS/LAPACK converting mgscs.c to 32-bit integers for BLAS/LAPACK converting mxm25.c to 32-bit integers for BLAS/LAPACK converting mxm5x.c to 32-bit integers for BLAS/LAPACK converting mxm88.c to 32-bit integers for BLAS/LAPACK converting mxm_ll1.c to 32-bit integers for BLAS/LAPACK converting onenorm.c to 32-bit integers for BLAS/LAPACK converting ortho.c to 32-bit integers for BLAS/LAPACK converting ortho2.c to 32-bit integers for BLAS/LAPACK converting pdcomplex.c to 32-bit integers for BLAS/LAPACK converting pdiff.c to 32-bit integers for BLAS/LAPACK converting pdspev_c.c to 32-bit integers for BLAS/LAPACK converting pdspeval.c to 32-bit integers for BLAS/LAPACK converting pdspevx.c to 32-bit integers for BLAS/LAPACK converting pdspgv_c.c to 32-bit integers for BLAS/LAPACK converting pdspgvx.c to 32-bit integers for BLAS/LAPACK converting pdsptri.c to 32-bit integers for BLAS/LAPACK converting pdsptri2.c to 32-bit integers for BLAS/LAPACK converting peigs_dlasq1.c to 32-bit integers for BLAS/LAPACK converting peigs_tldlfact.c to 32-bit integers for BLAS/LAPACK converting pgexit.c to 32-bit integers for BLAS/LAPACK converting pipe_fut.c to 32-bit integers for BLAS/LAPACK converting pmmLSL.c to 32-bit integers for BLAS/LAPACK converting pmmLUL.c to 32-bit integers for BLAS/LAPACK converting pmmlsl2.c to 32-bit integers for BLAS/LAPACK converting pscale.c to 32-bit integers for BLAS/LAPACK converting pstebz10.c to 32-bit integers for BLAS/LAPACK converting pstebz11.c to 32-bit integers for BLAS/LAPACK converting pstebz9.c to 32-bit integers for BLAS/LAPACK converting pstein3.c to 32-bit integers for BLAS/LAPACK converting pstein4.c to 32-bit integers for BLAS/LAPACK converting pstein44.c to 32-bit integers for BLAS/LAPACK converting pstein5.c to 32-bit integers for BLAS/LAPACK converting pxerbla.c to 32-bit integers for BLAS/LAPACK converting qsort.c to 32-bit integers for BLAS/LAPACK converting r_ritz.c to 32-bit integers for BLAS/LAPACK converting reducemap.c to 32-bit integers for BLAS/LAPACK converting resid.c to 32-bit integers for BLAS/LAPACK converting residual.c to 32-bit integers for BLAS/LAPACK converting sfnorm.c to 32-bit integers for BLAS/LAPACK converting shellsort.c to 32-bit integers for BLAS/LAPACK converting soluf.c to 32-bit integers for BLAS/LAPACK converting sonenorm.c to 32-bit integers for BLAS/LAPACK converting soort.c to 32-bit integers for BLAS/LAPACK converting sort.c to 32-bit integers for BLAS/LAPACK converting sorteig.c to 32-bit integers for BLAS/LAPACK converting tred22.c to 32-bit integers for BLAS/LAPACK converting treesort3.c to 32-bit integers for BLAS/LAPACK converting tresid.c to 32-bit integers for BLAS/LAPACK converting util.c to 32-bit integers for BLAS/LAPACK converting xerbla.c to 32-bit integers for BLAS/LAPACK converting peigs_cmod.f to 32-bit integers for BLAS/LAPACK converting gdot.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/peigs/src/c' (cd ./src/f77; make 32_to_64) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/peigs/src/f77' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 types.f inverm.F \ dgetavec.F dgetavec2.f dgetavec3.f dgetavec4.F \ dptsvx2.f converting types.f to 32-bit integers for BLAS/LAPACK converting inverm.F to 32-bit integers for BLAS/LAPACK converting dgetavec.F to 32-bit integers for BLAS/LAPACK converting dgetavec2.f to 32-bit integers for BLAS/LAPACK converting dgetavec3.f to 32-bit integers for BLAS/LAPACK converting dgetavec4.F to 32-bit integers for BLAS/LAPACK converting dptsvx2.f to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/peigs/src/f77' (cd ./comm; make 32_to_64) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/peigs/comm' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 *h *F converting cmbbfr1.h to 32-bit integers for BLAS/LAPACK converting datasizes.h to 32-bit integers for BLAS/LAPACK converting defines.h to 32-bit integers for BLAS/LAPACK converting mxsubs.h to 32-bit integers for BLAS/LAPACK converting maxx.F to 32-bit integers for BLAS/LAPACK converting mxbrod.F to 32-bit integers for BLAS/LAPACK converting mxcombv1.F to 32-bit integers for BLAS/LAPACK converting mxsubs.F to 32-bit integers for BLAS/LAPACK converting peigs_dgop.F to 32-bit integers for BLAS/LAPACK converting sum.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/peigs/comm' (cd ./ctof; make 32_to_64) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/peigs/ctof' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 *c converting bortho_f.c to 32-bit integers for BLAS/LAPACK converting choleski_f.c to 32-bit integers for BLAS/LAPACK converting inverse_f.c to 32-bit integers for BLAS/LAPACK converting mxm25_f.c to 32-bit integers for BLAS/LAPACK converting mxm5x_f.c to 32-bit integers for BLAS/LAPACK converting mxm88_f.c to 32-bit integers for BLAS/LAPACK converting onenorm_f.c to 32-bit integers for BLAS/LAPACK converting ortho_f.c to 32-bit integers for BLAS/LAPACK converting pdspev_f.c to 32-bit integers for BLAS/LAPACK converting pdspevx_f.c to 32-bit integers for BLAS/LAPACK converting pdspgv_f.c to 32-bit integers for BLAS/LAPACK converting pdspgvx_f.c to 32-bit integers for BLAS/LAPACK converting pdsptri_f.c to 32-bit integers for BLAS/LAPACK converting resid_f.c to 32-bit integers for BLAS/LAPACK converting residual_f.c to 32-bit integers for BLAS/LAPACK converting sonenorm_f.c to 32-bit integers for BLAS/LAPACK converting tresid_f.c to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/peigs/ctof' (cd ./h; make 32_to_64) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/peigs/h' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 blas_lapack.h peigs_types.h converting blas_lapack.h to 32-bit integers for BLAS/LAPACK converting peigs_types.h to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/peigs/h' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/peigs' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/perfm' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/perfm' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/bq' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 bq_input.F converting bq_input.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/bq' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cons' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 cons_data.F converting cons_data.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cons' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints' Making 32_to_64 in simint make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/simint' Making 32_to_64 in module make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/simint/module' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/simint/module' Making 32_to_64 in source make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/simint/source' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/simint/source' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/simint' Making 32_to_64 in api make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/api' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 int_1e3ov.F int_hf1sp.F int_lgen1e.F intb_2e4c.F intbd_2e4c.F intd_1e3ov.F intd_1eh1.F intd_2e2c.F intd_2e4c.F intd_mpolel.F intp_txyz.F intpd_mpolel.F intbdd_2e4c.F int_2e4c.F intdd_2e2c.F intdd_2e3c.F intd_2e3c.F intdd_2e4c.F intd_1epot.F intd_1epot_cosmo.F intpd_1eov.F intpd_2e3c.F intpd_1eke.F intpd_2e2c.F intpd_2e3ct.F converting int_1e3ov.F to 32-bit integers for BLAS/LAPACK converting int_hf1sp.F to 32-bit integers for BLAS/LAPACK converting int_lgen1e.F to 32-bit integers for BLAS/LAPACK converting intb_2e4c.F to 32-bit integers for BLAS/LAPACK converting intbd_2e4c.F to 32-bit integers for BLAS/LAPACK converting intd_1e3ov.F to 32-bit integers for BLAS/LAPACK converting intd_1eh1.F to 32-bit integers for BLAS/LAPACK converting intd_2e2c.F to 32-bit integers for BLAS/LAPACK converting intd_2e4c.F to 32-bit integers for BLAS/LAPACK converting intd_mpolel.F to 32-bit integers for BLAS/LAPACK converting intp_txyz.F to 32-bit integers for BLAS/LAPACK converting intpd_mpolel.F to 32-bit integers for BLAS/LAPACK converting intbdd_2e4c.F to 32-bit integers for BLAS/LAPACK converting int_2e4c.F to 32-bit integers for BLAS/LAPACK converting intdd_2e2c.F to 32-bit integers for BLAS/LAPACK converting intdd_2e3c.F to 32-bit integers for BLAS/LAPACK converting intd_2e3c.F to 32-bit integers for BLAS/LAPACK converting intdd_2e4c.F to 32-bit integers for BLAS/LAPACK converting intd_1epot.F to 32-bit integers for BLAS/LAPACK converting intd_1epot_cosmo.F to 32-bit integers for BLAS/LAPACK converting intpd_1eov.F to 32-bit integers for BLAS/LAPACK converting intpd_2e3c.F to 32-bit integers for BLAS/LAPACK converting intpd_1eke.F to 32-bit integers for BLAS/LAPACK converting intpd_2e2c.F to 32-bit integers for BLAS/LAPACK converting intpd_2e3ct.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/api' Making 32_to_64 in int make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/int' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 hf2oi.f hfkei.f hfnai.f hfnai_er.F hf2.F igamma.F hferi.F hf1.F hf1mke3.f converting hf2oi.f to 32-bit integers for BLAS/LAPACK converting hfkei.f to 32-bit integers for BLAS/LAPACK converting hfnai.f to 32-bit integers for BLAS/LAPACK converting hfnai_er.F to 32-bit integers for BLAS/LAPACK converting hf2.F to 32-bit integers for BLAS/LAPACK converting igamma.F to 32-bit integers for BLAS/LAPACK converting hferi.F to 32-bit integers for BLAS/LAPACK converting hf1.F to 32-bit integers for BLAS/LAPACK converting hf1mke3.f to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/int' Making 32_to_64 in auxil make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/auxil' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 int_spcart.F spherical.F xlm_norm.F xlmcoeff.F int_norm_2c.F int_spcart2.F converting int_spcart.F to 32-bit integers for BLAS/LAPACK converting spherical.F to 32-bit integers for BLAS/LAPACK converting xlm_norm.F to 32-bit integers for BLAS/LAPACK converting xlmcoeff.F to 32-bit integers for BLAS/LAPACK converting int_norm_2c.F to 32-bit integers for BLAS/LAPACK converting int_spcart2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/auxil' Making 32_to_64 in ints_sp make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/ints_sp' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 sp1111.F converting sp1111.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/ints_sp' Making 32_to_64 in deriv make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/deriv' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 hf1PRtoAB.f hf1d.F hf2PRtoAB.f hf2QStoCD.f hf2d.F hf2d_2a.F hf2d_2a2b.F hf2d_2b.F hf2d_3a.F hf2d_3a2b.F hfd3oi.F hf2d_all.F hfderi.F hf1d_cosmo.F converting hf1PRtoAB.f to 32-bit integers for BLAS/LAPACK converting hf1d.F to 32-bit integers for BLAS/LAPACK converting hf2PRtoAB.f to 32-bit integers for BLAS/LAPACK converting hf2QStoCD.f to 32-bit integers for BLAS/LAPACK converting hf2d.F to 32-bit integers for BLAS/LAPACK converting hf2d_2a.F to 32-bit integers for BLAS/LAPACK converting hf2d_2a2b.F to 32-bit integers for BLAS/LAPACK converting hf2d_2b.F to 32-bit integers for BLAS/LAPACK converting hf2d_3a.F to 32-bit integers for BLAS/LAPACK converting hf2d_3a2b.F to 32-bit integers for BLAS/LAPACK converting hfd3oi.F to 32-bit integers for BLAS/LAPACK converting hf2d_all.F to 32-bit integers for BLAS/LAPACK converting hfderi.F to 32-bit integers for BLAS/LAPACK converting hf1d_cosmo.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/deriv' Making 32_to_64 in texas make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/texas' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 amshift.F big_service.F trobsa.F getmem.F converting amshift.F to 32-bit integers for BLAS/LAPACK converting big_service.F to 32-bit integers for BLAS/LAPACK converting trobsa.F to 32-bit integers for BLAS/LAPACK converting getmem.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/texas' Making 32_to_64 in ecp make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/ecp' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 ecp_bess_pow.f ecp_cart_xpd.F ecp_cstrans.F ecp_grad_a.F ecp_grad_b.F ecp_gradient.F ecp_hessian.F ecp_int0.F ecp_int1.F ecp_int2.F ecp_integral.F ecp_local0.F ecp_local1.F ecp_local2.F ecp_locint1.F ecp_radint0.F ecp_radint1.F ecp_radint2.F ecp_s2ccoef.f ecp_so_ang.F ecp_t1_Q0asy.F ecp_t1_Q3asy.F ecp_t1_Q0pow.F ecp_t1_Q1pow.F ecp_t1_Q3pow.F ecp_t2_p0pow.F ecp_t2_p1pow.F ecp_t2_p3pow.F ecp_t2_p4pow.F ecp_skipint.F int_ecp.F converting ecp_bess_pow.f to 32-bit integers for BLAS/LAPACK converting ecp_cart_xpd.F to 32-bit integers for BLAS/LAPACK converting ecp_cstrans.F to 32-bit integers for BLAS/LAPACK converting ecp_grad_a.F to 32-bit integers for BLAS/LAPACK converting ecp_grad_b.F to 32-bit integers for BLAS/LAPACK converting ecp_gradient.F to 32-bit integers for BLAS/LAPACK converting ecp_hessian.F to 32-bit integers for BLAS/LAPACK converting ecp_int0.F to 32-bit integers for BLAS/LAPACK converting ecp_int1.F to 32-bit integers for BLAS/LAPACK converting ecp_int2.F to 32-bit integers for BLAS/LAPACK converting ecp_integral.F to 32-bit integers for BLAS/LAPACK converting ecp_local0.F to 32-bit integers for BLAS/LAPACK converting ecp_local1.F to 32-bit integers for BLAS/LAPACK converting ecp_local2.F to 32-bit integers for BLAS/LAPACK converting ecp_locint1.F to 32-bit integers for BLAS/LAPACK converting ecp_radint0.F to 32-bit integers for BLAS/LAPACK converting ecp_radint1.F to 32-bit integers for BLAS/LAPACK converting ecp_radint2.F to 32-bit integers for BLAS/LAPACK converting ecp_s2ccoef.f to 32-bit integers for BLAS/LAPACK converting ecp_so_ang.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q0asy.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q3asy.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q0pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q1pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q3pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t2_p0pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t2_p1pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t2_p3pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t2_p4pow.F to 32-bit integers for BLAS/LAPACK converting ecp_skipint.F to 32-bit integers for BLAS/LAPACK converting int_ecp.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/ecp' Making 32_to_64 in hondo make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/hondo' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 hnd_stvint.F hnd_stvintd.F hnd_stvintdd.F hnd_elfder.F hnd_pso.F hnd_ops.F hnd_dso.F hnd_giaoh11.F hnd_giaoh01.F hnd_giaotv10.F hnd_giaobq10.F hnd_giaol10.F hnd_giaos10.F hnd_giaos100.F hnd_vstat.F hnd_veloc.F hnd_dipder.F hnd_angmom.F hnd_dipvel.F hnd_giahnd.F converting hnd_stvint.F to 32-bit integers for BLAS/LAPACK converting hnd_stvintd.F to 32-bit integers for BLAS/LAPACK converting hnd_stvintdd.F to 32-bit integers for BLAS/LAPACK converting hnd_elfder.F to 32-bit integers for BLAS/LAPACK converting hnd_pso.F to 32-bit integers for BLAS/LAPACK converting hnd_ops.F to 32-bit integers for BLAS/LAPACK converting hnd_dso.F to 32-bit integers for BLAS/LAPACK converting hnd_giaoh11.F to 32-bit integers for BLAS/LAPACK converting hnd_giaoh01.F to 32-bit integers for BLAS/LAPACK converting hnd_giaotv10.F to 32-bit integers for BLAS/LAPACK converting hnd_giaobq10.F to 32-bit integers for BLAS/LAPACK converting hnd_giaol10.F to 32-bit integers for BLAS/LAPACK converting hnd_giaos10.F to 32-bit integers for BLAS/LAPACK converting hnd_giaos100.F to 32-bit integers for BLAS/LAPACK converting hnd_vstat.F to 32-bit integers for BLAS/LAPACK converting hnd_veloc.F to 32-bit integers for BLAS/LAPACK converting hnd_dipder.F to 32-bit integers for BLAS/LAPACK converting hnd_angmom.F to 32-bit integers for BLAS/LAPACK converting hnd_dipvel.F to 32-bit integers for BLAS/LAPACK converting hnd_giahnd.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/hondo' Making 32_to_64 in rel make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/rel' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 rel_onel.F rel_oneld.F rel_mpole.F rel_2e4c_sf.F rel_LLSS.F rel_SSLL.F rel_SSSS.F rel_2e4cd_sf.F rel_LLSSd.F rel_SSLLd.F rel_SSSSd.F rel_pot.F rel_oneld_cosmo.F rel_pot2.F converting rel_onel.F to 32-bit integers for BLAS/LAPACK converting rel_oneld.F to 32-bit integers for BLAS/LAPACK converting rel_mpole.F to 32-bit integers for BLAS/LAPACK converting rel_2e4c_sf.F to 32-bit integers for BLAS/LAPACK converting rel_LLSS.F to 32-bit integers for BLAS/LAPACK converting rel_SSLL.F to 32-bit integers for BLAS/LAPACK converting rel_SSSS.F to 32-bit integers for BLAS/LAPACK converting rel_2e4cd_sf.F to 32-bit integers for BLAS/LAPACK converting rel_LLSSd.F to 32-bit integers for BLAS/LAPACK converting rel_SSLLd.F to 32-bit integers for BLAS/LAPACK converting rel_SSSSd.F to 32-bit integers for BLAS/LAPACK converting rel_pot.F to 32-bit integers for BLAS/LAPACK converting rel_oneld_cosmo.F to 32-bit integers for BLAS/LAPACK converting rel_pot2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/rel' Making 32_to_64 in dk make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/dk' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 int_1edk_ga.F int_1edkso_ga.F converting int_1edk_ga.F to 32-bit integers for BLAS/LAPACK converting int_1edkso_ga.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints/dk' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/NWints' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/atomscf' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 atomd.F atscf_atscf.F atscf_ecp.F converting atomd.F to 32-bit integers for BLAS/LAPACK converting atscf_atscf.F to 32-bit integers for BLAS/LAPACK converting atscf_ecp.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/atomscf' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ddscf' Making 32_to_64 in fast make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ddscf/fast' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 potential.F pot_shell.F fmm.F newfmm.F testfmm.F cart_trans.F xlm_poles.F fastj.F solver.F cheby.F converting potential.F to 32-bit integers for BLAS/LAPACK converting pot_shell.F to 32-bit integers for BLAS/LAPACK converting fmm.F to 32-bit integers for BLAS/LAPACK converting newfmm.F to 32-bit integers for BLAS/LAPACK converting testfmm.F to 32-bit integers for BLAS/LAPACK converting cart_trans.F to 32-bit integers for BLAS/LAPACK converting xlm_poles.F to 32-bit integers for BLAS/LAPACK converting fastj.F to 32-bit integers for BLAS/LAPACK converting solver.F to 32-bit integers for BLAS/LAPACK converting cheby.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ddscf/fast' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 ao_fock_2e.F ao_replicated.F fock_2e_file.F fock_2e_slab.F int2e_file.F movecs_lock.F movecs_phase.F riscf_fock.F riscf_trans.F rohf_diis.F rohf_k2cf.F scf_movecs.F scf_vec_guess.F uhf.F movecs_frag.F localize.F fock_2e.F fock_2e_cam.F int_1e_ga.F movecs_rotate.F vectors.F ga_get2eri.F cosmo_fock.F converting ao_fock_2e.F to 32-bit integers for BLAS/LAPACK converting ao_replicated.F to 32-bit integers for BLAS/LAPACK converting fock_2e_file.F to 32-bit integers for BLAS/LAPACK converting fock_2e_slab.F to 32-bit integers for BLAS/LAPACK converting int2e_file.F to 32-bit integers for BLAS/LAPACK converting movecs_lock.F to 32-bit integers for BLAS/LAPACK converting movecs_phase.F to 32-bit integers for BLAS/LAPACK converting riscf_fock.F to 32-bit integers for BLAS/LAPACK converting riscf_trans.F to 32-bit integers for BLAS/LAPACK converting rohf_diis.F to 32-bit integers for BLAS/LAPACK converting rohf_k2cf.F to 32-bit integers for BLAS/LAPACK converting scf_movecs.F to 32-bit integers for BLAS/LAPACK converting scf_vec_guess.F to 32-bit integers for BLAS/LAPACK converting uhf.F to 32-bit integers for BLAS/LAPACK converting movecs_frag.F to 32-bit integers for BLAS/LAPACK converting localize.F to 32-bit integers for BLAS/LAPACK converting fock_2e.F to 32-bit integers for BLAS/LAPACK converting fock_2e_cam.F to 32-bit integers for BLAS/LAPACK converting int_1e_ga.F to 32-bit integers for BLAS/LAPACK converting movecs_rotate.F to 32-bit integers for BLAS/LAPACK converting vectors.F to 32-bit integers for BLAS/LAPACK converting ga_get2eri.F to 32-bit integers for BLAS/LAPACK converting cosmo_fock.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ddscf' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/gradients' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 grad2.F ga_reorder.F grad_dens.F converting grad2.F to 32-bit integers for BLAS/LAPACK converting ga_reorder.F to 32-bit integers for BLAS/LAPACK converting grad_dens.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/gradients' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/moints' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 moints_2x.F moints_6x.F moints_aux2.F moints_ccsd.F moints_full.F moints_semi.F sifs0.F sifs1.F converting moints_2x.F to 32-bit integers for BLAS/LAPACK converting moints_6x.F to 32-bit integers for BLAS/LAPACK converting moints_aux2.F to 32-bit integers for BLAS/LAPACK converting moints_ccsd.F to 32-bit integers for BLAS/LAPACK converting moints_full.F to 32-bit integers for BLAS/LAPACK converting moints_semi.F to 32-bit integers for BLAS/LAPACK converting sifs0.F to 32-bit integers for BLAS/LAPACK converting sifs1.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/moints' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft' Making 32_to_64 in include make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/include' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 xc_vwn_a.fh converting xc_vwn_a.fh to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/include' Making 32_to_64 in input_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/input_dft' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/input_dft' Making 32_to_64 in scf_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/scf_dft' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 dft_mxovl.F diis_bld12.F diis_bsolve.F dft_densm.F dft_swapab.F dft_canorg.F cdft_util.F dft_diagn.F dft_spinflip.F dft_pstat.F converting dft_mxovl.F to 32-bit integers for BLAS/LAPACK converting diis_bld12.F to 32-bit integers for BLAS/LAPACK converting diis_bsolve.F to 32-bit integers for BLAS/LAPACK converting dft_densm.F to 32-bit integers for BLAS/LAPACK converting dft_swapab.F to 32-bit integers for BLAS/LAPACK converting dft_canorg.F to 32-bit integers for BLAS/LAPACK converting cdft_util.F to 32-bit integers for BLAS/LAPACK converting dft_diagn.F to 32-bit integers for BLAS/LAPACK converting dft_spinflip.F to 32-bit integers for BLAS/LAPACK converting dft_pstat.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/scf_dft' Making 32_to_64 in scf_dft_cg make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/scf_dft_cg' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/scf_dft_cg' Making 32_to_64 in so_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/so_dft' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 dft_mxovlso.F diis_bld12_so.F diis_bsolve_so.F sym_mo_adapt_so.F sym_op_clsfy_so.F dft_scf_so.F ga_orthog_so.F dft_scf_utils_so.F dft_densmso.F converting dft_mxovlso.F to 32-bit integers for BLAS/LAPACK converting diis_bld12_so.F to 32-bit integers for BLAS/LAPACK converting diis_bsolve_so.F to 32-bit integers for BLAS/LAPACK converting sym_mo_adapt_so.F to 32-bit integers for BLAS/LAPACK converting sym_op_clsfy_so.F to 32-bit integers for BLAS/LAPACK converting dft_scf_so.F to 32-bit integers for BLAS/LAPACK converting ga_orthog_so.F to 32-bit integers for BLAS/LAPACK converting dft_scf_utils_so.F to 32-bit integers for BLAS/LAPACK converting dft_densmso.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/so_dft' Making 32_to_64 in coulomb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/coulomb' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 dft_fitcd.F dft_fitvc.F dft_genspm.F dft_3cincor.F dft_get2eri.F converting dft_fitcd.F to 32-bit integers for BLAS/LAPACK converting dft_fitvc.F to 32-bit integers for BLAS/LAPACK converting dft_genspm.F to 32-bit integers for BLAS/LAPACK converting dft_3cincor.F to 32-bit integers for BLAS/LAPACK converting dft_get2eri.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/coulomb' Making 32_to_64 in xc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/xc' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 xc_fitv.F xc_dirac.F xc_bnl.F xc_att_xc.F xc_tabcd.F xc_rhogen.F xc_oep.F xc_sic_pert.F xc_sic.F localize_sic.F xc_eval_basis.F xc_eval_fnl.F xc_fd.F xc_optc.F xc_atomblock.F scat_mat.F xc_replicated.F xc_vdw_main.F xc_vdw_util.F xc_3rd_deriv.F xc_hcth.F ts_tf.F xc_xn12.F xc_util.F xc_tabcd_adft.F xc_rhogen_adft.F xc_getvxc.F xc_lb94.F converting xc_fitv.F to 32-bit integers for BLAS/LAPACK converting xc_dirac.F to 32-bit integers for BLAS/LAPACK converting xc_bnl.F to 32-bit integers for BLAS/LAPACK converting xc_att_xc.F to 32-bit integers for BLAS/LAPACK converting xc_tabcd.F to 32-bit integers for BLAS/LAPACK converting xc_rhogen.F to 32-bit integers for BLAS/LAPACK converting xc_oep.F to 32-bit integers for BLAS/LAPACK converting xc_sic_pert.F to 32-bit integers for BLAS/LAPACK converting xc_sic.F to 32-bit integers for BLAS/LAPACK converting localize_sic.F to 32-bit integers for BLAS/LAPACK converting xc_eval_basis.F to 32-bit integers for BLAS/LAPACK converting xc_eval_fnl.F to 32-bit integers for BLAS/LAPACK converting xc_fd.F to 32-bit integers for BLAS/LAPACK converting xc_optc.F to 32-bit integers for BLAS/LAPACK converting xc_atomblock.F to 32-bit integers for BLAS/LAPACK converting scat_mat.F to 32-bit integers for BLAS/LAPACK converting xc_replicated.F to 32-bit integers for BLAS/LAPACK converting xc_vdw_main.F to 32-bit integers for BLAS/LAPACK converting xc_vdw_util.F to 32-bit integers for BLAS/LAPACK converting xc_3rd_deriv.F to 32-bit integers for BLAS/LAPACK converting xc_hcth.F to 32-bit integers for BLAS/LAPACK converting ts_tf.F to 32-bit integers for BLAS/LAPACK converting xc_xn12.F to 32-bit integers for BLAS/LAPACK converting xc_util.F to 32-bit integers for BLAS/LAPACK converting xc_tabcd_adft.F to 32-bit integers for BLAS/LAPACK converting xc_rhogen_adft.F to 32-bit integers for BLAS/LAPACK converting xc_getvxc.F to 32-bit integers for BLAS/LAPACK converting xc_lb94.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/xc' Making 32_to_64 in util make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/util' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 ga_chol_seq.F ga_inv_seq.F int_1e_fde.F dft_utilmap.F converting ga_chol_seq.F to 32-bit integers for BLAS/LAPACK converting ga_inv_seq.F to 32-bit integers for BLAS/LAPACK converting int_1e_fde.F to 32-bit integers for BLAS/LAPACK converting dft_utilmap.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/util' Making 32_to_64 in grid make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/grid' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 grid_invariant.F grid_beckew.F grid_file.F grid_setspac.F grid_quadv0a.F grid_quadv0b.F grid_quadvw.F grid_tasks.F grid_pscreen.F grid_quadvw1.F grid_xcfit.F grid_sympts.F grid_ssw.F grid_finpts.F grid_ylm.F grid_eaf.F converting grid_invariant.F to 32-bit integers for BLAS/LAPACK converting grid_beckew.F to 32-bit integers for BLAS/LAPACK converting grid_file.F to 32-bit integers for BLAS/LAPACK converting grid_setspac.F to 32-bit integers for BLAS/LAPACK converting grid_quadv0a.F to 32-bit integers for BLAS/LAPACK converting grid_quadv0b.F to 32-bit integers for BLAS/LAPACK converting grid_quadvw.F to 32-bit integers for BLAS/LAPACK converting grid_tasks.F to 32-bit integers for BLAS/LAPACK converting grid_pscreen.F to 32-bit integers for BLAS/LAPACK converting grid_quadvw1.F to 32-bit integers for BLAS/LAPACK converting grid_xcfit.F to 32-bit integers for BLAS/LAPACK converting grid_sympts.F to 32-bit integers for BLAS/LAPACK converting grid_ssw.F to 32-bit integers for BLAS/LAPACK converting grid_finpts.F to 32-bit integers for BLAS/LAPACK converting grid_ylm.F to 32-bit integers for BLAS/LAPACK converting grid_eaf.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/grid' Making 32_to_64 in dftgrad make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/dftgrad' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 dftg_cdfit.F dftg_quadv0b.F dftg_wderiv.F j_nucder_gen.F dft_gradients.F dftg_gridv0a.F dftg_gridv0b.F dftg_quadv0b_adft.F converting dftg_cdfit.F to 32-bit integers for BLAS/LAPACK converting dftg_quadv0b.F to 32-bit integers for BLAS/LAPACK converting dftg_wderiv.F to 32-bit integers for BLAS/LAPACK converting j_nucder_gen.F to 32-bit integers for BLAS/LAPACK converting dft_gradients.F to 32-bit integers for BLAS/LAPACK converting dftg_gridv0a.F to 32-bit integers for BLAS/LAPACK converting dftg_gridv0b.F to 32-bit integers for BLAS/LAPACK converting dftg_quadv0b_adft.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/dftgrad' Making 32_to_64 in lr_tddft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/lr_tddft' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 tddft_diagon.F tddft_transfm.F tddft_analysis.F tddft_restart.F tddft_civecs_phase.F tddft_fock_fit.F tddft_memory.F converting tddft_diagon.F to 32-bit integers for BLAS/LAPACK converting tddft_transfm.F to 32-bit integers for BLAS/LAPACK converting tddft_analysis.F to 32-bit integers for BLAS/LAPACK converting tddft_restart.F to 32-bit integers for BLAS/LAPACK converting tddft_civecs_phase.F to 32-bit integers for BLAS/LAPACK converting tddft_fock_fit.F to 32-bit integers for BLAS/LAPACK converting tddft_memory.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/lr_tddft' Making 32_to_64 in lr_tddft_grad make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/lr_tddft_grad' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 tddft_grad_gxc.F tddft_grad_compute_w.F tddft_grad_dxcdmat.F tddft_grad_dfxc.F tddft_grad_quadv0b.F tddft_grad_dvxc.F tddft_grad_compute_g.F converting tddft_grad_gxc.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_compute_w.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_dxcdmat.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_dfxc.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_quadv0b.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_dvxc.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_compute_g.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/lr_tddft_grad' Making 32_to_64 in zora make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/zora' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 dft_zora_NMR.F dft_zora_EPR-NMR_tools.F zora_tabcd.F dft_zora_EPR.F dft_zora_Hyperfine.F zora_tabcd_EFG.F dft_zora_utils_so.F zora_getv_HFine.F converting dft_zora_NMR.F to 32-bit integers for BLAS/LAPACK converting dft_zora_EPR-NMR_tools.F to 32-bit integers for BLAS/LAPACK converting zora_tabcd.F to 32-bit integers for BLAS/LAPACK converting dft_zora_EPR.F to 32-bit integers for BLAS/LAPACK converting dft_zora_Hyperfine.F to 32-bit integers for BLAS/LAPACK converting zora_tabcd_EFG.F to 32-bit integers for BLAS/LAPACK converting dft_zora_utils_so.F to 32-bit integers for BLAS/LAPACK converting zora_getv_HFine.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/zora' Making 32_to_64 in spec make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/spec' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 dft_polfromsos.F converting dft_polfromsos.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/spec' Making 32_to_64 in rt_tddft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft' Making 32_to_64 in matutils make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/matutils' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 zmat_diag.F zmat_inv.F converting zmat_diag.F to 32-bit integers for BLAS/LAPACK converting zmat_inv.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/matutils' Making 32_to_64 in rtutils make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/rtutils' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/rtutils' Making 32_to_64 in input make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/input' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/input' Making 32_to_64 in init make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/init' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/init' Making 32_to_64 in canorg make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/canorg' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/canorg' Making 32_to_64 in propagators make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/propagators' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/propagators' Making 32_to_64 in closedshell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/closedshell' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/closedshell' Making 32_to_64 in openshell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/openshell' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft/openshell' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/rt_tddft' Making 32_to_64 in libxc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/libxc' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 nwchem_libxc_compute.F converting nwchem_libxc_compute.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/libxc' Making 32_to_64 in x2c make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/x2c' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft/x2c' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwdft' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rimp2' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 dgecop.F eval_3ci.F rimp2_v_e2.F xf3ci_s12a.F xf3ci_s12b.F converting dgecop.F to 32-bit integers for BLAS/LAPACK converting eval_3ci.F to 32-bit integers for BLAS/LAPACK converting rimp2_v_e2.F to 32-bit integers for BLAS/LAPACK converting xf3ci_s12a.F to 32-bit integers for BLAS/LAPACK converting xf3ci_s12b.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/rimp2' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/stepper' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 stpr_driver.F stpr_mkstep.F stpr_partit.F stpr_gh_at.F converting stpr_driver.F to 32-bit integers for BLAS/LAPACK converting stpr_mkstep.F to 32-bit integers for BLAS/LAPACK converting stpr_partit.F to 32-bit integers for BLAS/LAPACK converting stpr_gh_at.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/stepper' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/driver' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 opt_drv.F oniom.F lbfgs.F lbfgs-b.F lbfgs-b_driver.F socket_driver.F converting opt_drv.F to 32-bit integers for BLAS/LAPACK converting oniom.F to 32-bit integers for BLAS/LAPACK converting lbfgs.F to 32-bit integers for BLAS/LAPACK converting lbfgs-b.F to 32-bit integers for BLAS/LAPACK converting lbfgs-b_driver.F to 32-bit integers for BLAS/LAPACK converting socket_driver.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/driver' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim' Making 32_to_64 in deloc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/deloc' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/deloc' Making 32_to_64 in mepgs make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/mepgs' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 mepgs_drv.F converting mepgs_drv.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/mepgs' Making 32_to_64 in tropt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/tropt' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 tropt_drv.F converting tropt_drv.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/tropt' Making 32_to_64 in neb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/neb' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 neb_drv.F neb_utils.F bead_list.F neb_input.F converting neb_drv.F to 32-bit integers for BLAS/LAPACK converting neb_utils.F to 32-bit integers for BLAS/LAPACK converting bead_list.F to 32-bit integers for BLAS/LAPACK converting neb_input.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/neb' Making 32_to_64 in string make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/string' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 string.F converting string.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim/string' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/optim' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cphf' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cphf' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ccsd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 ccsd_itm.F ccsd_itm_omp.F ccsd_t2pm.F ccsd_iterdrv2.F ccsd_pampt2.F ccsd_pampt3.F ccsd_idx1.F ccsd_idx2.F ccsd_idx34.F ccsd_pdiis.F ccsd_sortmo.F ccsd_trpdrv.F ccsd_trpdrv_nb.F ccsd_trpdrv_omp.F ccsd_trpdrv_omp_mixprec.F moints_trp.F ccsd_zvecs.F ccsd_z2pm.F ccsd_tzinta.F ccsd_tzintb.F ccsd_zsig1.F ccsd_zsig2.F ccden_interm2.F ccden_1pdm.F geaxpy.F ccsd_mktau_ga.F ccden_2pdmb.F aoccsd2.F ccsd_fsig1.F ccsd_fsig2.F ccsd_trpdrv_bgp2.F ccsd_trpdrv_offload.F ccsd_trpdrv_openacc.F moints_trp.F converting ccsd_itm.F to 32-bit integers for BLAS/LAPACK converting ccsd_itm_omp.F to 32-bit integers for BLAS/LAPACK converting ccsd_t2pm.F to 32-bit integers for BLAS/LAPACK converting ccsd_iterdrv2.F to 32-bit integers for BLAS/LAPACK converting ccsd_pampt2.F to 32-bit integers for BLAS/LAPACK converting ccsd_pampt3.F to 32-bit integers for BLAS/LAPACK converting ccsd_idx1.F to 32-bit integers for BLAS/LAPACK converting ccsd_idx2.F to 32-bit integers for BLAS/LAPACK converting ccsd_idx34.F to 32-bit integers for BLAS/LAPACK converting ccsd_pdiis.F to 32-bit integers for BLAS/LAPACK converting ccsd_sortmo.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_nb.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_omp.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_omp_mixprec.F to 32-bit integers for BLAS/LAPACK converting moints_trp.F to 32-bit integers for BLAS/LAPACK converting ccsd_zvecs.F to 32-bit integers for BLAS/LAPACK converting ccsd_z2pm.F to 32-bit integers for BLAS/LAPACK converting ccsd_tzinta.F to 32-bit integers for BLAS/LAPACK converting ccsd_tzintb.F to 32-bit integers for BLAS/LAPACK converting ccsd_zsig1.F to 32-bit integers for BLAS/LAPACK converting ccsd_zsig2.F to 32-bit integers for BLAS/LAPACK converting ccden_interm2.F to 32-bit integers for BLAS/LAPACK converting ccden_1pdm.F to 32-bit integers for BLAS/LAPACK converting geaxpy.F to 32-bit integers for BLAS/LAPACK converting ccsd_mktau_ga.F to 32-bit integers for BLAS/LAPACK converting ccden_2pdmb.F to 32-bit integers for BLAS/LAPACK converting aoccsd2.F to 32-bit integers for BLAS/LAPACK converting ccsd_fsig1.F to 32-bit integers for BLAS/LAPACK converting ccsd_fsig2.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_bgp2.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_offload.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_openacc.F to 32-bit integers for BLAS/LAPACK converting moints_trp.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ccsd' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/vib' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 vib_eckart.F vib_hmass.F vib_intense.F vib_nmass.F vib_tors.F vib_vib.F vib_wrtfreq.F vib_istep.F vib_thermo.F vib_phonon.F converting vib_eckart.F to 32-bit integers for BLAS/LAPACK converting vib_hmass.F to 32-bit integers for BLAS/LAPACK converting vib_intense.F to 32-bit integers for BLAS/LAPACK converting vib_nmass.F to 32-bit integers for BLAS/LAPACK converting vib_tors.F to 32-bit integers for BLAS/LAPACK converting vib_vib.F to 32-bit integers for BLAS/LAPACK converting vib_wrtfreq.F to 32-bit integers for BLAS/LAPACK converting vib_istep.F to 32-bit integers for BLAS/LAPACK converting vib_thermo.F to 32-bit integers for BLAS/LAPACK converting vib_phonon.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/vib' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mcscf' Making 32_to_64 in detci make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mcscf/detci' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 detci_aux.F detci_dens.F detci_diag.F detci_sigma.F detci_spin.F converting detci_aux.F to 32-bit integers for BLAS/LAPACK converting detci_dens.F to 32-bit integers for BLAS/LAPACK converting detci_diag.F to 32-bit integers for BLAS/LAPACK converting detci_sigma.F to 32-bit integers for BLAS/LAPACK converting detci_spin.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mcscf/detci' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 hmat.F mcscf_aux.F mcscf_b.F mcscf_debug.F mcscf_fock.F mcscf_ohvmo.F mcscf_orb.F mcscf_prcnd.F mcscf.F converting hmat.F to 32-bit integers for BLAS/LAPACK converting mcscf_aux.F to 32-bit integers for BLAS/LAPACK converting mcscf_b.F to 32-bit integers for BLAS/LAPACK converting mcscf_debug.F to 32-bit integers for BLAS/LAPACK converting mcscf_fock.F to 32-bit integers for BLAS/LAPACK converting mcscf_ohvmo.F to 32-bit integers for BLAS/LAPACK converting mcscf_orb.F to 32-bit integers for BLAS/LAPACK converting mcscf_prcnd.F to 32-bit integers for BLAS/LAPACK converting mcscf.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mcscf' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/prepar' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/prepar' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/esp' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 esp_esp.F esp_denmat.F converting esp_esp.F to 32-bit integers for BLAS/LAPACK converting esp_denmat.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/esp' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/hessian' Making 32_to_64 in analytic make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/hessian/analytic' Making 32_to_64 in dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/hessian/analytic/dft' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 xc_cpks_coeff.F xc_d2expl.F xc_nucder_gen.F converting xc_cpks_coeff.F to 32-bit integers for BLAS/LAPACK converting xc_d2expl.F to 32-bit integers for BLAS/LAPACK converting xc_nucder_gen.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/hessian/analytic/dft' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 onedd_calc.F hess_restart.F shell_fock_build.F shell_fock_build_cam.F twodd_cont.F converting onedd_calc.F to 32-bit integers for BLAS/LAPACK converting hess_restart.F to 32-bit integers for BLAS/LAPACK converting shell_fock_build.F to 32-bit integers for BLAS/LAPACK converting shell_fock_build_cam.F to 32-bit integers for BLAS/LAPACK converting twodd_cont.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/hessian/analytic' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 hess_blas.F converting hess_blas.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/hessian' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/selci' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 davids.F fcidim.F makeh.F makehs.F makhdb.F tester.F selci_hpp.F couple.c converting davids.F to 32-bit integers for BLAS/LAPACK converting fcidim.F to 32-bit integers for BLAS/LAPACK converting makeh.F to 32-bit integers for BLAS/LAPACK converting makehs.F to 32-bit integers for BLAS/LAPACK converting makhdb.F to 32-bit integers for BLAS/LAPACK converting tester.F to 32-bit integers for BLAS/LAPACK converting selci_hpp.F to 32-bit integers for BLAS/LAPACK converting couple.c to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/selci' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dplot' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 dplot.F dmat.F create_contour.F get_charges.F dplot_dos.F converting dplot.F to 32-bit integers for BLAS/LAPACK converting dmat.F to 32-bit integers for BLAS/LAPACK converting create_contour.F to 32-bit integers for BLAS/LAPACK converting get_charges.F to 32-bit integers for BLAS/LAPACK converting dplot_dos.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dplot' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mp2_grad' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 mp2_energy.F mp2_lai_uhf.F mp2_make_tuhf.F mp2_pijab_uhf.F mp2_wai_uhf.F mp2_wijab_uhf.F mp2_back_transform.F mp2_read_tiajb.F converting mp2_energy.F to 32-bit integers for BLAS/LAPACK converting mp2_lai_uhf.F to 32-bit integers for BLAS/LAPACK converting mp2_make_tuhf.F to 32-bit integers for BLAS/LAPACK converting mp2_pijab_uhf.F to 32-bit integers for BLAS/LAPACK converting mp2_wai_uhf.F to 32-bit integers for BLAS/LAPACK converting mp2_wijab_uhf.F to 32-bit integers for BLAS/LAPACK converting mp2_back_transform.F to 32-bit integers for BLAS/LAPACK converting mp2_read_tiajb.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mp2_grad' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qhop' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qhop' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/property' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 hnd_elfcon.F wnbofile.F hnd_spinspin.F hnd_mtpole.F hnd_mulken.F hnd_elpmap.F hnd_elfmap.F hnd_mtpcon.F giaofock.F hnd_spinspin.F aoresponse_driver.F raman.F hnd_efgmap_z4.F hnd_gshift_zora.F wshldfile.F int_giao_1ega.F whypfile.F wefgfile.F aoresponse_driver_new.F hnd_elfcon_symm.F wgshiftfile.F hnd_hyperfine_zora.F hnd_eldmap_grid.F ibo_localization.F converting hnd_elfcon.F to 32-bit integers for BLAS/LAPACK converting wnbofile.F to 32-bit integers for BLAS/LAPACK converting hnd_spinspin.F to 32-bit integers for BLAS/LAPACK converting hnd_mtpole.F to 32-bit integers for BLAS/LAPACK converting hnd_mulken.F to 32-bit integers for BLAS/LAPACK converting hnd_elpmap.F to 32-bit integers for BLAS/LAPACK converting hnd_elfmap.F to 32-bit integers for BLAS/LAPACK converting hnd_mtpcon.F to 32-bit integers for BLAS/LAPACK converting giaofock.F to 32-bit integers for BLAS/LAPACK converting hnd_spinspin.F to 32-bit integers for BLAS/LAPACK converting aoresponse_driver.F to 32-bit integers for BLAS/LAPACK converting raman.F to 32-bit integers for BLAS/LAPACK converting hnd_efgmap_z4.F to 32-bit integers for BLAS/LAPACK converting hnd_gshift_zora.F to 32-bit integers for BLAS/LAPACK converting wshldfile.F to 32-bit integers for BLAS/LAPACK converting int_giao_1ega.F to 32-bit integers for BLAS/LAPACK converting whypfile.F to 32-bit integers for BLAS/LAPACK converting wefgfile.F to 32-bit integers for BLAS/LAPACK converting aoresponse_driver_new.F to 32-bit integers for BLAS/LAPACK converting hnd_elfcon_symm.F to 32-bit integers for BLAS/LAPACK converting wgshiftfile.F to 32-bit integers for BLAS/LAPACK converting hnd_hyperfine_zora.F to 32-bit integers for BLAS/LAPACK converting hnd_eldmap_grid.F to 32-bit integers for BLAS/LAPACK converting ibo_localization.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/property' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/solvation' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 hnd_cosmo_lib.F cosmo_lebedev.F cosmo_thomson.F grad_hnd_cos.F hnd_coschg.F converting hnd_cosmo_lib.F to 32-bit integers for BLAS/LAPACK converting cosmo_lebedev.F to 32-bit integers for BLAS/LAPACK converting cosmo_thomson.F to 32-bit integers for BLAS/LAPACK converting grad_hnd_cos.F to 32-bit integers for BLAS/LAPACK converting hnd_coschg.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/solvation' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined Making 32_to_64 in nwpwlib make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib' Making 32_to_64 in Parallel make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/Parallel' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 Parallel-mpi.F Parallel.F converting Parallel-mpi.F to 32-bit integers for BLAS/LAPACK converting Parallel.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/Parallel' Making 32_to_64 in D1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/D1dB' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 D1dB-mpi.F D1dBs-mpi.F Dne.F skew.F Dne_omp.F Dnex.F converting D1dB-mpi.F to 32-bit integers for BLAS/LAPACK converting D1dBs-mpi.F to 32-bit integers for BLAS/LAPACK converting Dne.F to 32-bit integers for BLAS/LAPACK converting skew.F to 32-bit integers for BLAS/LAPACK converting Dne_omp.F to 32-bit integers for BLAS/LAPACK converting Dnex.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/D1dB' Making 32_to_64 in D3dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/D3dB' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 D3dB-new.F D3dB_pfft.F D3dB-mpi.F D3dB-tcgmsg.F D3dBs-new.F D3dBs_pfft.F D3dBs-mpi.F converting D3dB-new.F to 32-bit integers for BLAS/LAPACK converting D3dB_pfft.F to 32-bit integers for BLAS/LAPACK converting D3dB-mpi.F to 32-bit integers for BLAS/LAPACK converting D3dB-tcgmsg.F to 32-bit integers for BLAS/LAPACK converting D3dBs-new.F to 32-bit integers for BLAS/LAPACK converting D3dBs_pfft.F to 32-bit integers for BLAS/LAPACK converting D3dBs-mpi.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/D3dB' Making 32_to_64 in Pneb make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/Pneb' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 Pneb.F converting Pneb.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/Pneb' Making 32_to_64 in K1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/K1dB' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 K1dB-mpi.F converting K1dB-mpi.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/K1dB' Making 32_to_64 in C1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/C1dB' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 C1dB-mpi.F converting C1dB-mpi.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/C1dB' Making 32_to_64 in C3dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/C3dB' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 C3dB-new.F C3dB_pfft.F C3dB-tcgmsg.F C3dB-mpi.F converting C3dB-new.F to 32-bit integers for BLAS/LAPACK converting C3dB_pfft.F to 32-bit integers for BLAS/LAPACK converting C3dB-tcgmsg.F to 32-bit integers for BLAS/LAPACK converting C3dB-mpi.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/C3dB' Making 32_to_64 in DMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/DMatrix' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 DMatrix-mpi.F DMatrix.F DMatrix-tcgmsg.F converting DMatrix-mpi.F to 32-bit integers for BLAS/LAPACK converting DMatrix.F to 32-bit integers for BLAS/LAPACK converting DMatrix-tcgmsg.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/DMatrix' Making 32_to_64 in CMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/CMatrix' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 CMatrix.F CMatrix-tcgmsg.F CMatrix-mpi.F converting CMatrix.F to 32-bit integers for BLAS/LAPACK converting CMatrix-tcgmsg.F to 32-bit integers for BLAS/LAPACK converting CMatrix-mpi.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/CMatrix' Making 32_to_64 in TMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/TMatrix' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 dgemm_omp.F sgemm_omp.F ffm_multiply_omp_group.F zgemm_omp.F ffw_multiply_omp_group.F converting dgemm_omp.F to 32-bit integers for BLAS/LAPACK converting sgemm_omp.F to 32-bit integers for BLAS/LAPACK converting ffm_multiply_omp_group.F to 32-bit integers for BLAS/LAPACK converting zgemm_omp.F to 32-bit integers for BLAS/LAPACK converting ffw_multiply_omp_group.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/TMatrix' Making 32_to_64 in control make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/control' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 control.F converting control.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/control' Making 32_to_64 in lattice make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/lattice' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 lattice.f pack.F G_init.F cram.F c_G_init.F converting lattice.f to 32-bit integers for BLAS/LAPACK converting pack.F to 32-bit integers for BLAS/LAPACK converting G_init.F to 32-bit integers for BLAS/LAPACK converting cram.F to 32-bit integers for BLAS/LAPACK converting c_G_init.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/lattice' Making 32_to_64 in io make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/io' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/io' Making 32_to_64 in ion make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ion' Making 32_to_64 in shake make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ion/shake' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 molecular.F converting molecular.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ion/shake' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 ion.F fcoord.f incell1.f incell2.f incell3.f unfold.f seperate_molpsp.F seperate_pointcharge.F ion_FixIon.F ion_scaling_atoms.F converting ion.F to 32-bit integers for BLAS/LAPACK converting fcoord.f to 32-bit integers for BLAS/LAPACK converting incell1.f to 32-bit integers for BLAS/LAPACK converting incell2.f to 32-bit integers for BLAS/LAPACK converting incell3.f to 32-bit integers for BLAS/LAPACK converting unfold.f to 32-bit integers for BLAS/LAPACK converting seperate_molpsp.F to 32-bit integers for BLAS/LAPACK converting seperate_pointcharge.F to 32-bit integers for BLAS/LAPACK converting ion_FixIon.F to 32-bit integers for BLAS/LAPACK converting ion_scaling_atoms.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ion' Making 32_to_64 in pseudopotential make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/pseudopotential' Making 32_to_64 in paw_atom make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/pseudopotential/paw_atom' 32_to_64 : no conversion necessary make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/pseudopotential/paw_atom' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/pseudopotential' Making 32_to_64 in utilities make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/utilities' Making 32_to_64 in paw_utilities make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/utilities/paw_utilities' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 nwpw_gaunt.F nwpw_compcharge.F nwpw_xc.F nwpw_gintegrals.F nwpw_gintegrals2.F nwpw_gintegrals3.F converting nwpw_gaunt.F to 32-bit integers for BLAS/LAPACK converting nwpw_compcharge.F to 32-bit integers for BLAS/LAPACK converting nwpw_xc.F to 32-bit integers for BLAS/LAPACK converting nwpw_gintegrals.F to 32-bit integers for BLAS/LAPACK converting nwpw_gintegrals2.F to 32-bit integers for BLAS/LAPACK converting nwpw_gintegrals3.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/utilities/paw_utilities' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 auto_corr.F matrix.f nwpw_scf_mixing.F kerker_G.F cell.F cellgeometry.F nwpw_list.F cpsi_data.F psi_data.F nwpw_diis.F nwpw_kain.F nwpw_matrix_invert.F generate_unfolded_xyz.F nwpw_fftpack3d.F nwpw_kbpp_ray.F paw_utilities/nwpw_compcharge2.F task_paulsmatrix.F converting auto_corr.F to 32-bit integers for BLAS/LAPACK converting matrix.f to 32-bit integers for BLAS/LAPACK converting nwpw_scf_mixing.F to 32-bit integers for BLAS/LAPACK converting kerker_G.F to 32-bit integers for BLAS/LAPACK converting cell.F to 32-bit integers for BLAS/LAPACK converting cellgeometry.F to 32-bit integers for BLAS/LAPACK converting nwpw_list.F to 32-bit integers for BLAS/LAPACK converting cpsi_data.F to 32-bit integers for BLAS/LAPACK converting psi_data.F to 32-bit integers for BLAS/LAPACK converting nwpw_diis.F to 32-bit integers for BLAS/LAPACK converting nwpw_kain.F to 32-bit integers for BLAS/LAPACK converting nwpw_matrix_invert.F to 32-bit integers for BLAS/LAPACK converting generate_unfolded_xyz.F to 32-bit integers for BLAS/LAPACK converting nwpw_fftpack3d.F to 32-bit integers for BLAS/LAPACK converting nwpw_kbpp_ray.F to 32-bit integers for BLAS/LAPACK converting paw_utilities/nwpw_compcharge2.F to 32-bit integers for BLAS/LAPACK converting task_paulsmatrix.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/utilities' Making 32_to_64 in unitcell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/unitcell' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/unitcell' Making 32_to_64 in brillouin_zone make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/brillouin_zone' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/brillouin_zone' Making 32_to_64 in fractional make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/fractional' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 fractional.F frac_occ.F converting fractional.F to 32-bit integers for BLAS/LAPACK converting frac_occ.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/fractional' Making 32_to_64 in linesearch make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/linesearch' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/linesearch' Making 32_to_64 in timing make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/timing' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 nwpw_timing.F converting nwpw_timing.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/timing' Making 32_to_64 in ewald make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ewald' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 ewald.F ewald_strfac.F converting ewald.F to 32-bit integers for BLAS/LAPACK converting ewald_strfac.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/ewald' Making 32_to_64 in thermostats make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/thermostats' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 nose-hoover.F converting nose-hoover.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/thermostats' Making 32_to_64 in MetaDynamics make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/MetaDynamics' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 metadynamics.F converting metadynamics.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/MetaDynamics' Making 32_to_64 in TAMD make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/TAMD' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 tamd.F converting tamd.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/TAMD' Making 32_to_64 in FMM make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/FMM' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 fmm.F converting fmm.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/FMM' Making 32_to_64 in md_xs make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/md_xs' Making 32_to_64 in FEFF6L make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/md_xs/FEFF6L' 32_to_64 : no conversion necessary make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/md_xs/FEFF6L' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 md_xs.F converting md_xs.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/md_xs' Making 32_to_64 in nwpwxc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/nwpwxc' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 nwpwxc_vdw3c.F nwpwxc_eval.F nwpwxc_c_vwn_a.fh nwpwxc_vdw3a.F converting nwpwxc_vdw3c.F to 32-bit integers for BLAS/LAPACK converting nwpwxc_eval.F to 32-bit integers for BLAS/LAPACK converting nwpwxc_c_vwn_a.fh to 32-bit integers for BLAS/LAPACK converting nwpwxc_vdw3a.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib/nwpwxc' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/nwpwlib' Making 32_to_64 in libraryps make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/libraryps' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/libraryps' Making 32_to_64 in pspw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw' Making 32_to_64 in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib' Making 32_to_64 in psi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/psi' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 psi.F geodesic.F geodesic2.F Grassman.F dipole.F psi_history.F skew.F geodesic1.F berry_phase_pol.F psi_dmatrix.F rho_symmetrizer.F polarizability.F dipole.F dipole_efield.F converting psi.F to 32-bit integers for BLAS/LAPACK converting geodesic.F to 32-bit integers for BLAS/LAPACK converting geodesic2.F to 32-bit integers for BLAS/LAPACK converting Grassman.F to 32-bit integers for BLAS/LAPACK converting dipole.F to 32-bit integers for BLAS/LAPACK converting psi_history.F to 32-bit integers for BLAS/LAPACK converting skew.F to 32-bit integers for BLAS/LAPACK converting geodesic1.F to 32-bit integers for BLAS/LAPACK converting berry_phase_pol.F to 32-bit integers for BLAS/LAPACK converting psi_dmatrix.F to 32-bit integers for BLAS/LAPACK converting rho_symmetrizer.F to 32-bit integers for BLAS/LAPACK converting polarizability.F to 32-bit integers for BLAS/LAPACK converting dipole.F to 32-bit integers for BLAS/LAPACK converting dipole_efield.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/psi' Making 32_to_64 in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/electron' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 electron.F psi_H.F psi_Hv4.F converting electron.F to 32-bit integers for BLAS/LAPACK converting psi_H.F to 32-bit integers for BLAS/LAPACK converting psi_Hv4.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/electron' Making 32_to_64 in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/ke' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 ke.F converting ke.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/ke' Making 32_to_64 in coulomb make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/coulomb' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 coulomb.F coulomb2.F coulomb_screened.F coulomb_screened_small.F converting coulomb.F to 32-bit integers for BLAS/LAPACK converting coulomb2.F to 32-bit integers for BLAS/LAPACK converting coulomb_screened.F to 32-bit integers for BLAS/LAPACK converting coulomb_screened_small.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/coulomb' Making 32_to_64 in exchange-correlation make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/exchange-correlation' Making 32_to_64 in vdw-DF make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 vdw-DF.F vdw_DF_kernel.F converting vdw-DF.F to 32-bit integers for BLAS/LAPACK converting vdw_DF_kernel.F to 32-bit integers for BLAS/LAPACK make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 v_bwexc_euv.F v_bwexc.F nwpw_meta_gga.F v_mexc.F converting v_bwexc_euv.F to 32-bit integers for BLAS/LAPACK converting v_bwexc.F to 32-bit integers for BLAS/LAPACK converting nwpw_meta_gga.F to 32-bit integers for BLAS/LAPACK converting v_mexc.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/exchange-correlation' Making 32_to_64 in sic make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/sic' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 pspw_sic.F converting pspw_sic.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/sic' Making 32_to_64 in hfx make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/hfx' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 pspw_hfx.F pspw_shfx.F pspw_hfx_localized.F converting pspw_hfx.F to 32-bit integers for BLAS/LAPACK converting pspw_shfx.F to 32-bit integers for BLAS/LAPACK converting pspw_hfx_localized.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/hfx' Making 32_to_64 in ion make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/ion' 32_to_64 : no conversion necessary make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/ion' Making 32_to_64 in psp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/psp' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 psp.F psp_olddebug.F paw.F semicore.F semicore_force.F psp_stress.F semicore_force_a.F semicore_force_b.F psp_U.F psp_ld.F converting psp.F to 32-bit integers for BLAS/LAPACK converting psp_olddebug.F to 32-bit integers for BLAS/LAPACK converting paw.F to 32-bit integers for BLAS/LAPACK converting semicore.F to 32-bit integers for BLAS/LAPACK converting semicore_force.F to 32-bit integers for BLAS/LAPACK converting psp_stress.F to 32-bit integers for BLAS/LAPACK converting semicore_force_a.F to 32-bit integers for BLAS/LAPACK converting semicore_force_b.F to 32-bit integers for BLAS/LAPACK converting psp_U.F to 32-bit integers for BLAS/LAPACK converting psp_ld.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/psp' Making 32_to_64 in Grsm_list make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/Grsm_list' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 pspw_lmbfgs.F pspw_lmbfgs2.F pspw_diis.F pspw_Grsm_list.F pspw_rmmdiis.F converting pspw_lmbfgs.F to 32-bit integers for BLAS/LAPACK converting pspw_lmbfgs2.F to 32-bit integers for BLAS/LAPACK converting pspw_diis.F to 32-bit integers for BLAS/LAPACK converting pspw_Grsm_list.F to 32-bit integers for BLAS/LAPACK converting pspw_rmmdiis.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/Grsm_list' Making 32_to_64 in aorbs make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/aorbs' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 aorbs.F converting aorbs.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/aorbs' Making 32_to_64 in truncating_function make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/truncating_function' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 truncating_function.F converting truncating_function.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib/truncating_function' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lib' Making 32_to_64 in kbpp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/kbpp' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 setup_kbpp.f integrate_kbppv3.f integrate_kbppv3d.f integrate_kbpp_orb.F integrate_stress.F integrate_d_stress.F HGH_local.F HGH_nonlocal.F Tesseral.F hghppv1.F pawppv1.F integrate_kbppv3d_new.f integrate_kbppv3_new.f integrate_d_stress_new.F integrate_pawppv1.F junk.f integrate_kbppv3_ray.f integrate_stress_new.F integrate_stress_ray.F integrate_paw_ray.F integrate_kbppv3e.f integrate_kbppv3e_new.f integrate_kbppv3e_ray.f kbppv3e_stress.F integrate_e_stress.F integrate_e_stress_new.F integrate_e_stress_ray.F kbppv3d.F converting setup_kbpp.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3d.f to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_orb.F to 32-bit integers for BLAS/LAPACK converting integrate_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_d_stress.F to 32-bit integers for BLAS/LAPACK converting HGH_local.F to 32-bit integers for BLAS/LAPACK converting HGH_nonlocal.F to 32-bit integers for BLAS/LAPACK converting Tesseral.F to 32-bit integers for BLAS/LAPACK converting hghppv1.F to 32-bit integers for BLAS/LAPACK converting pawppv1.F to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3d_new.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3_new.f to 32-bit integers for BLAS/LAPACK converting integrate_d_stress_new.F to 32-bit integers for BLAS/LAPACK converting integrate_pawppv1.F to 32-bit integers for BLAS/LAPACK converting junk.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3_ray.f to 32-bit integers for BLAS/LAPACK converting integrate_stress_new.F to 32-bit integers for BLAS/LAPACK converting integrate_stress_ray.F to 32-bit integers for BLAS/LAPACK converting integrate_paw_ray.F to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3e.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3e_new.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3e_ray.f to 32-bit integers for BLAS/LAPACK converting kbppv3e_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_e_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_e_stress_new.F to 32-bit integers for BLAS/LAPACK converting integrate_e_stress_ray.F to 32-bit integers for BLAS/LAPACK converting kbppv3d.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/kbpp' Making 32_to_64 in makepsi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/makepsi' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 wvfnc_init.F v_wvfnc_init.F wvfnc_expander.F v_wvfnc_new.F wvfnc_new.F silvestrelli_minimize.F expand_cell.F wvfnc_expand_cell.F band_reformat_c_wvfnc.F wvfnc_adjust.F silvestrelli_minimize_old.F makenodefunctions.F pspw_wannier2.F pspw_wannier.F converting wvfnc_init.F to 32-bit integers for BLAS/LAPACK converting v_wvfnc_init.F to 32-bit integers for BLAS/LAPACK converting wvfnc_expander.F to 32-bit integers for BLAS/LAPACK converting v_wvfnc_new.F to 32-bit integers for BLAS/LAPACK converting wvfnc_new.F to 32-bit integers for BLAS/LAPACK converting silvestrelli_minimize.F to 32-bit integers for BLAS/LAPACK converting expand_cell.F to 32-bit integers for BLAS/LAPACK converting wvfnc_expand_cell.F to 32-bit integers for BLAS/LAPACK converting band_reformat_c_wvfnc.F to 32-bit integers for BLAS/LAPACK converting wvfnc_adjust.F to 32-bit integers for BLAS/LAPACK converting silvestrelli_minimize_old.F to 32-bit integers for BLAS/LAPACK converting makenodefunctions.F to 32-bit integers for BLAS/LAPACK converting pspw_wannier2.F to 32-bit integers for BLAS/LAPACK converting pspw_wannier.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/makepsi' Making 32_to_64 in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cpsd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 psi_lmbda.f psi_lmbda2.f psi_lmbda3.f psi_lmbda_sic.f psi_lmbda_paw.f inner_loop.F inner_loop_md.F cpsdv5.F cpmdv5.F psi_lmbda2.f psi_lmbda_omp.F mmsdv1.F inner_loop_qmmm_step.F cpmd_qmmm_start.F cpmd_qmmm_stop.F mm_loop.F pspw_et.F cprmdv1.F inner_loop_cprmd.F runsocket.F converting psi_lmbda.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda2.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda3.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda_sic.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda_paw.f to 32-bit integers for BLAS/LAPACK converting inner_loop.F to 32-bit integers for BLAS/LAPACK converting inner_loop_md.F to 32-bit integers for BLAS/LAPACK converting cpsdv5.F to 32-bit integers for BLAS/LAPACK converting cpmdv5.F to 32-bit integers for BLAS/LAPACK converting psi_lmbda2.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda_omp.F to 32-bit integers for BLAS/LAPACK converting mmsdv1.F to 32-bit integers for BLAS/LAPACK converting inner_loop_qmmm_step.F to 32-bit integers for BLAS/LAPACK converting cpmd_qmmm_start.F to 32-bit integers for BLAS/LAPACK converting cpmd_qmmm_stop.F to 32-bit integers for BLAS/LAPACK converting mm_loop.F to 32-bit integers for BLAS/LAPACK converting pspw_et.F to 32-bit integers for BLAS/LAPACK converting cprmdv1.F to 32-bit integers for BLAS/LAPACK converting inner_loop_cprmd.F to 32-bit integers for BLAS/LAPACK converting runsocket.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cpsd' Making 32_to_64 in cgsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cgsd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 cgsdv5.F cgmdv5.F cgmontecarlov1.F cgoptimize1.F cgsd_energy.F bybminimize.F bybminimize2.F pspw_bq_gradient.F cgminimize.F mmmdv1.F bfgsminimize2.F bfgsminimize3.F md_energy.F cgminimize2.F cgminimizeABC.F cgsd_noit_energy.F bfgsminimize.F bfgsminimizeABC.F converting cgsdv5.F to 32-bit integers for BLAS/LAPACK converting cgmdv5.F to 32-bit integers for BLAS/LAPACK converting cgmontecarlov1.F to 32-bit integers for BLAS/LAPACK converting cgoptimize1.F to 32-bit integers for BLAS/LAPACK converting cgsd_energy.F to 32-bit integers for BLAS/LAPACK converting bybminimize.F to 32-bit integers for BLAS/LAPACK converting bybminimize2.F to 32-bit integers for BLAS/LAPACK converting pspw_bq_gradient.F to 32-bit integers for BLAS/LAPACK converting cgminimize.F to 32-bit integers for BLAS/LAPACK converting mmmdv1.F to 32-bit integers for BLAS/LAPACK converting bfgsminimize2.F to 32-bit integers for BLAS/LAPACK converting bfgsminimize3.F to 32-bit integers for BLAS/LAPACK converting md_energy.F to 32-bit integers for BLAS/LAPACK converting cgminimize2.F to 32-bit integers for BLAS/LAPACK converting cgminimizeABC.F to 32-bit integers for BLAS/LAPACK converting cgsd_noit_energy.F to 32-bit integers for BLAS/LAPACK converting bfgsminimize.F to 32-bit integers for BLAS/LAPACK converting bfgsminimizeABC.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cgsd' Making 32_to_64 in analysis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/analysis' Making 32_to_64 in APC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/analysis/APC' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 pspw_APC.F pspw_atom_Efield.F pspw_atom_Efield_grad.F converting pspw_APC.F to 32-bit integers for BLAS/LAPACK converting pspw_atom_Efield.F to 32-bit integers for BLAS/LAPACK converting pspw_atom_Efield_grad.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/analysis/APC' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 pspw_Lubin_water_analysis.F pspw_atom_analysis.F analysis.F orb_pop_kawai.F orb_pop_aorb.F converting pspw_Lubin_water_analysis.F to 32-bit integers for BLAS/LAPACK converting pspw_atom_analysis.F to 32-bit integers for BLAS/LAPACK converting analysis.F to 32-bit integers for BLAS/LAPACK converting orb_pop_kawai.F to 32-bit integers for BLAS/LAPACK converting orb_pop_aorb.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/analysis' Making 32_to_64 in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cell_optimize' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 update_unitcell.F stress_fd.F force_fd.F converting update_unitcell.F to 32-bit integers for BLAS/LAPACK converting stress_fd.F to 32-bit integers for BLAS/LAPACK converting force_fd.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/cell_optimize' Making 32_to_64 in qmmm make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm' Making 32_to_64 in pspw_LJ make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_LJ' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 pspw_LJ.F converting pspw_LJ.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_LJ' Making 32_to_64 in pspw_Q make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_Q' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 pspw_Q.F converting pspw_Q.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_Q' Making 32_to_64 in pspw_Pair make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_Pair' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 pspw_Pair.F converting pspw_Pair.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/pspw_Pair' Making 32_to_64 in mmq make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/mmq' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 mmq.F converting mmq.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm/mmq' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 pspw_qmmm.F converting pspw_qmmm.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/qmmm' Making 32_to_64 in charge make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/charge' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 pspw_charge.F pspw_efield.F pspw_cosmo.F converting pspw_charge.F to 32-bit integers for BLAS/LAPACK converting pspw_efield.F to 32-bit integers for BLAS/LAPACK converting pspw_cosmo.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/charge' Making 32_to_64 in dplot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/dplot' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 pspw_dplot.F ELF.F converting pspw_dplot.F to 32-bit integers for BLAS/LAPACK converting ELF.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/dplot' Making 32_to_64 in lcao make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lcao' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 lcao_diis_dn.F lcao_init_dn.F lcao_new_dn.F lcao_new_mix_dn.F lcao_generate_vhxcmatrix.F lcao_diis.F lcaov1.F wvfnc_new_lcao_density.F converting lcao_diis_dn.F to 32-bit integers for BLAS/LAPACK converting lcao_init_dn.F to 32-bit integers for BLAS/LAPACK converting lcao_new_dn.F to 32-bit integers for BLAS/LAPACK converting lcao_new_mix_dn.F to 32-bit integers for BLAS/LAPACK converting lcao_generate_vhxcmatrix.F to 32-bit integers for BLAS/LAPACK converting lcao_diis.F to 32-bit integers for BLAS/LAPACK converting lcaov1.F to 32-bit integers for BLAS/LAPACK converting wvfnc_new_lcao_density.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw/lcao' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/pspw' Making 32_to_64 in paw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw' Making 32_to_64 in paw_geometry make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_geometry' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_geometry' Making 32_to_64 in paw_ma make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ma' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ma' Making 32_to_64 in paw_utils make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_utils' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 integrate.F converting integrate.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_utils' Making 32_to_64 in paw_basis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_basis' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_basis' Making 32_to_64 in paw_proj make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_proj' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 paw_proj.F converting paw_proj.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_proj' Making 32_to_64 in paw_matrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_matrix' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_matrix' Making 32_to_64 in paw_ovlp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ovlp' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 paw_overlap_matrix.F paw_ovlp.F converting paw_overlap_matrix.F to 32-bit integers for BLAS/LAPACK converting paw_ovlp.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ovlp' Making 32_to_64 in paw_comp_charge make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_comp_charge' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_comp_charge' Making 32_to_64 in paw_special_functions make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_special_functions' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_special_functions' Making 32_to_64 in paw_gaunt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_gaunt' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_gaunt' Making 32_to_64 in paw_kinetic make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_kinetic' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_kinetic' Making 32_to_64 in paw_vloc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_vloc' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 paw_vloc.F converting paw_vloc.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_vloc' Making 32_to_64 in paw_ion_potential make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ion_potential' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_ion_potential' Making 32_to_64 in paw_core make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_core' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_core' Making 32_to_64 in paw_hartree make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_hartree' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 paw_pot_hartree.F paw_matrix_hartree.F converting paw_pot_hartree.F to 32-bit integers for BLAS/LAPACK converting paw_matrix_hartree.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_hartree' Making 32_to_64 in paw_comp_pot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_comp_pot' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_comp_pot' Making 32_to_64 in paw_mult make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_mult' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 paw_mult.F paw_mult_interaction.F paw_mult_energy.F converting paw_mult.F to 32-bit integers for BLAS/LAPACK converting paw_mult_interaction.F to 32-bit integers for BLAS/LAPACK converting paw_mult_energy.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_mult' Making 32_to_64 in paw_nonlocal make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_nonlocal' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 paw_nonlocal.F converting paw_nonlocal.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_nonlocal' Making 32_to_64 in paw_density make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_density' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 paw_density.F converting paw_density.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_density' Making 32_to_64 in paw_xc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_xc' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 paw_xc.F converting paw_xc.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_xc' Making 32_to_64 in paw_force make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_force' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 paw_force.F converting paw_force.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_force' Making 32_to_64 in paw_Grsm_list make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_Grsm_list' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 paw_Grsm_list.F paw_lmbfgs.F converting paw_Grsm_list.F to 32-bit integers for BLAS/LAPACK converting paw_lmbfgs.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_Grsm_list' Making 32_to_64 in paw_psi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_psi' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 paw_psi.F paw_geodesic.F paw_electron.F paw_psi2.F converting paw_psi.F to 32-bit integers for BLAS/LAPACK converting paw_geodesic.F to 32-bit integers for BLAS/LAPACK converting paw_electron.F to 32-bit integers for BLAS/LAPACK converting paw_psi2.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/paw_psi' Making 32_to_64 in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cpsd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 paw_sd.F paw_inner_loop.F paw_cpmd.F paw_inner_loop_md.F converting paw_sd.F to 32-bit integers for BLAS/LAPACK converting paw_inner_loop.F to 32-bit integers for BLAS/LAPACK converting paw_cpmd.F to 32-bit integers for BLAS/LAPACK converting paw_inner_loop_md.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cpsd' Making 32_to_64 in cgsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cgsd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 paw_bfgsminimize.F paw_minimizer.F paw_cgsd_energy.F paw_cgminimize.F converting paw_bfgsminimize.F to 32-bit integers for BLAS/LAPACK converting paw_minimizer.F to 32-bit integers for BLAS/LAPACK converting paw_cgsd_energy.F to 32-bit integers for BLAS/LAPACK converting paw_cgminimize.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cgsd' Making 32_to_64 in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cell_optimize' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 paw_stress_fd.F paw_update_unitcell.F converting paw_stress_fd.F to 32-bit integers for BLAS/LAPACK converting paw_update_unitcell.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw/cell_optimize' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/paw' Making 32_to_64 in band make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band' Making 32_to_64 in minimizer make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/minimizer' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 band_minimizer.F c_cgsd_energy.F c_cgsd_energy_gradient.F c_bybminimize.F c_bybminimize2.F c_cgsd_energy_stress.F converting band_minimizer.F to 32-bit integers for BLAS/LAPACK converting c_cgsd_energy.F to 32-bit integers for BLAS/LAPACK converting c_cgsd_energy_gradient.F to 32-bit integers for BLAS/LAPACK converting c_bybminimize.F to 32-bit integers for BLAS/LAPACK converting c_bybminimize2.F to 32-bit integers for BLAS/LAPACK converting c_cgsd_energy_stress.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/minimizer' Making 32_to_64 in structure make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/structure' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 band_structure.F band_interpolate_structure.F band_kp_structure.F band_fft_structure.F converting band_structure.F to 32-bit integers for BLAS/LAPACK converting band_interpolate_structure.F to 32-bit integers for BLAS/LAPACK converting band_kp_structure.F to 32-bit integers for BLAS/LAPACK converting band_fft_structure.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/structure' Making 32_to_64 in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/cpsd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 band_sd.F band_cpmd.F band_inner_loop.F band_inner_loop_md.F converting band_sd.F to 32-bit integers for BLAS/LAPACK converting band_cpmd.F to 32-bit integers for BLAS/LAPACK converting band_inner_loop.F to 32-bit integers for BLAS/LAPACK converting band_inner_loop_md.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/cpsd' Making 32_to_64 in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/cell_optimize' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 band_stress_fd.F band_update_unitcell.F converting band_stress_fd.F to 32-bit integers for BLAS/LAPACK converting band_update_unitcell.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/cell_optimize' Making 32_to_64 in kbpp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/kbpp' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 kbpp_band.F kbpp_band_orb.F setup_kbpp_band.f integrate_kbpp_band_local.F integrate_kbpp_band_nonlocal.F integrate_kbpp_band_orb.F kbpp_band_stress.F integrate_kbpp_band_stress_local.F integrate_kbpp_band_stress_nonlocal.F HGH_band_local.F HGH_band_nonlocal.F Tesseral_band.F Spherical_band.F hghpp_band.F integrate_kbpp_band_ray.F integrate_kbpp_band_stress_ray.F rkbpp_band.F integrate_kbpp_band_local_new.F integrate_kbpp_e_band_local_new.F integrate_kbpp_band_stress_local_new.F integrate_kbpp_band_nonlocal_new.F integrate_kbpp_band_stress_nonlocal_new.F kbpp_e_band.F integrate_kbpp_e_band_nonlocal.F integrate_kbpp_e_band_nonlocal_new.F integrate_kbpp_e_band_local.F integrate_kbpp_e_band_ray.F kbpp_e_band_stress.F integrate_kbpp_e_band_stress_local.F integrate_kbpp_e_band_stress_local_new.F integrate_kbpp_e_band_stress_ray.F integrate_kbpp_e_band_stress_nonlocal.F integrate_kbpp_e_band_stress_nonlocal_new.F converting kbpp_band.F to 32-bit integers for BLAS/LAPACK converting kbpp_band_orb.F to 32-bit integers for BLAS/LAPACK converting setup_kbpp_band.f to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_local.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_nonlocal.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_orb.F to 32-bit integers for BLAS/LAPACK converting kbpp_band_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_local.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_nonlocal.F to 32-bit integers for BLAS/LAPACK converting HGH_band_local.F to 32-bit integers for BLAS/LAPACK converting HGH_band_nonlocal.F to 32-bit integers for BLAS/LAPACK converting Tesseral_band.F to 32-bit integers for BLAS/LAPACK converting Spherical_band.F to 32-bit integers for BLAS/LAPACK converting hghpp_band.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_ray.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_ray.F to 32-bit integers for BLAS/LAPACK converting rkbpp_band.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_local_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_local_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_local_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_nonlocal_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_nonlocal_new.F to 32-bit integers for BLAS/LAPACK converting kbpp_e_band.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_nonlocal.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_nonlocal_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_local.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_ray.F to 32-bit integers for BLAS/LAPACK converting kbpp_e_band_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_local.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_local_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_ray.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_nonlocal.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_nonlocal_new.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/kbpp' Making 32_to_64 in makepsi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/makepsi' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 pspw_reformat_c_wvfnc.F c_wvfnc_new.F c_wvfnc_expander.F c_v_wvfnc_new.F c_wvfnc_adjust.F converting pspw_reformat_c_wvfnc.F to 32-bit integers for BLAS/LAPACK converting c_wvfnc_new.F to 32-bit integers for BLAS/LAPACK converting c_wvfnc_expander.F to 32-bit integers for BLAS/LAPACK converting c_v_wvfnc_new.F to 32-bit integers for BLAS/LAPACK converting c_wvfnc_adjust.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/makepsi' Making 32_to_64 in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib' Making 32_to_64 in cpsp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/cpsp' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 cpsp.F cpsp_stress.F c_semicore.F cpsp_projector.F c_semicore_force_a.F c_semicore_force_b.F cpsp_relativistic.F cpsp_U.F converting cpsp.F to 32-bit integers for BLAS/LAPACK converting cpsp_stress.F to 32-bit integers for BLAS/LAPACK converting c_semicore.F to 32-bit integers for BLAS/LAPACK converting cpsp_projector.F to 32-bit integers for BLAS/LAPACK converting c_semicore_force_a.F to 32-bit integers for BLAS/LAPACK converting c_semicore_force_b.F to 32-bit integers for BLAS/LAPACK converting cpsp_relativistic.F to 32-bit integers for BLAS/LAPACK converting cpsp_U.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/cpsp' Making 32_to_64 in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/ke' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 cke.F converting cke.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/ke' Making 32_to_64 in coulomb make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/coulomb' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 c_coulomb.F c_coulomb_screened.F converting c_coulomb.F to 32-bit integers for BLAS/LAPACK converting c_coulomb_screened.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/coulomb' Making 32_to_64 in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/electron' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 c_electron.F psi_lmbda.f cpsi_H.F converting c_electron.F to 32-bit integers for BLAS/LAPACK converting psi_lmbda.f to 32-bit integers for BLAS/LAPACK converting cpsi_H.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/electron' Making 32_to_64 in psi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/psi' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 cpsi.F c_geodesic.F c_geodesic2.F cpsi_lmbda.F cpsi_lmbda2.F BGrsm.F cpsi_KS.F cpsi_read.F cpsi_write.F v_cpsi_read.F v_cpsi_write.F c_rho_symmetrizer.F converting cpsi.F to 32-bit integers for BLAS/LAPACK converting c_geodesic.F to 32-bit integers for BLAS/LAPACK converting c_geodesic2.F to 32-bit integers for BLAS/LAPACK converting cpsi_lmbda.F to 32-bit integers for BLAS/LAPACK converting cpsi_lmbda2.F to 32-bit integers for BLAS/LAPACK converting BGrsm.F to 32-bit integers for BLAS/LAPACK converting cpsi_KS.F to 32-bit integers for BLAS/LAPACK converting cpsi_read.F to 32-bit integers for BLAS/LAPACK converting cpsi_write.F to 32-bit integers for BLAS/LAPACK converting v_cpsi_read.F to 32-bit integers for BLAS/LAPACK converting v_cpsi_write.F to 32-bit integers for BLAS/LAPACK converting c_rho_symmetrizer.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/psi' Making 32_to_64 in hfx make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/hfx' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 band_hfx.F converting band_hfx.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/hfx' Making 32_to_64 in Grsm_list make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/Grsm_list' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 band_Grsm_list.F band_lmbfgs.F converting band_Grsm_list.F to 32-bit integers for BLAS/LAPACK converting band_lmbfgs.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/Grsm_list' Making 32_to_64 in borbs make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/borbs' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 borbs.F borb_projector.F converting borbs.F to 32-bit integers for BLAS/LAPACK converting borb_projector.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib/borbs' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/lib' Making 32_to_64 in dplot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/dplot' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 band_dplot.F converting band_dplot.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/dplot' Making 32_to_64 in analysis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/analysis' Making 32_to_64 in APC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/analysis/APC' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 band_APC.F band_atom_Efield.F converting band_APC.F to 32-bit integers for BLAS/LAPACK converting band_atom_Efield.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/analysis/APC' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 band_analysis.F orb_pop_borb.F converting band_analysis.F to 32-bit integers for BLAS/LAPACK converting orb_pop_borb.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band/analysis' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/band' Making 32_to_64 in ofpw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw' Making 32_to_64 in minimizer make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/minimizer' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 ofpw_minimizer.F ofpw_cgsd_energy.F ofpw_cgminimize.F converting ofpw_minimizer.F to 32-bit integers for BLAS/LAPACK converting ofpw_cgsd_energy.F to 32-bit integers for BLAS/LAPACK converting ofpw_cgminimize.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/minimizer' Making 32_to_64 in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/cpsd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 ofpwsd.F inner_loop_ofpw.F chi_lmbda.f converting ofpwsd.F to 32-bit integers for BLAS/LAPACK converting inner_loop_ofpw.F to 32-bit integers for BLAS/LAPACK converting chi_lmbda.f to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/cpsd' Making 32_to_64 in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib' Making 32_to_64 in chi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/chi' 32_to_64 : no conversion necessary make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/chi' Making 32_to_64 in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/electron' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 chi_H.F chi_Hv4.F converting chi_H.F to 32-bit integers for BLAS/LAPACK converting chi_Hv4.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/electron' Making 32_to_64 in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/ke' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 v_thomasfermi.F converting v_thomasfermi.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/ke' Making 32_to_64 in WGC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/WGC' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 wgc.F converting wgc.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib/WGC' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw/lib' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw/ofpw' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwpw' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft' Making 32_to_64 in pfft1.0 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfft1.0' Making 32_to_64 in fftpack make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfft1.0/fftpack' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfft1.0/fftpack' Making 32_to_64 in pfft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfft1.0/pfft' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 drain.F fillup.F converting drain.F to 32-bit integers for BLAS/LAPACK converting fillup.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfft1.0/pfft' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfft1.0' Making 32_to_64 in pfftwrap make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfftwrap' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft/pfftwrap' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fft' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/python' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/python' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/analyz' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/analyz' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwmd' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/nwmd' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cafe' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cafe' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/space' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/space' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/drdy' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 nwc_gen.F nwc_s2.F nwc_s1.F converting nwc_gen.F to 32-bit integers for BLAS/LAPACK converting nwc_s2.F to 32-bit integers for BLAS/LAPACK converting nwc_s1.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/drdy' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/vscf' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 vscf.F converting vscf.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/vscf' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qmmm' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 task_qmmm_gradient.F qmmm_lbfgsb.F mm_interface.F converting task_qmmm_gradient.F to 32-bit integers for BLAS/LAPACK converting qmmm_lbfgsb.F to 32-bit integers for BLAS/LAPACK converting mm_interface.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qmmm' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qmd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 qmd_ext.F converting qmd_ext.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/qmd' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/etrans' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/etrans' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce' Making 32_to_64 in include make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/include' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/include' Making 32_to_64 in diis make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/diis' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 tce_diis.F converting tce_diis.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/diis' Making 32_to_64 in diis2 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/diis2' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 tce_diis2.F converting tce_diis2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/diis2' Making 32_to_64 in gradients make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/gradients' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 ccsd_1pdm_hh_mo.F ccsd_1pdm_pp_mo.F ccsd_1pdm_hp_mo.F ccsd_1pdm_ph_mo.F ccsd_2pdm_hhhh_mo.F ccsd_2pdm_hhhp_mo.F ccsd_2pdm_hhpp_mo.F ccsd_2pdm_hphh_mo.F ccsd_2pdm_hphp_mo.F ccsd_2pdm_hppp_mo.F ccsd_2pdm_pphh_mo.F ccsd_2pdm_pphp_mo.F ccsd_2pdm_pppp_mo.F zvec_x_a_a.F zvec_x_a_b_a.F zvec_x_a_b_b.F zvec_x_a_c_a.F zvec_x_a_c_b.F zvec_x_a_d.F zvec_x_a_e_a.F zvec_x_a_e_b.F zvec_x_a_f_a.F zvec_x_a_f_b.F zvec_x_b_a_a.F zvec_x_b_a_b.F zvec_x_b_b_a.F zvec_x_b_b_b.F zvec_x_b_c.F zvec_x_b_d_a.F zvec_x_b_d_b.F zvec_x_b_e_a.F zvec_x_b_e_b.F zvec_x_b_f.F zvec_x_c_a.F zvec_x_c_b.F ccsd_zvec.F wdm_hh_mo_a.F wdm_hh_mo_b_a_a.F wdm_hh_mo_b_a_b.F wdm_hh_mo_b_b_a.F wdm_hh_mo_b_b_b.F wdm_hh_mo_c_a.F wdm_hh_mo_c_b_a.F wdm_hh_mo_c_b_b.F wdm_hh_mo_c_c_a.F wdm_hh_mo_c_c_b.F wdm_hh_mo_c_d.F wdm_hh_mo_c_e_a.F wdm_hh_mo_c_e_b.F wdm_hh_mo_c_f_a.F wdm_hh_mo_c_f_b.F wdm_hh_mo_d.F wdm_hp_mo_a.F wdm_hp_mo_b_a_a.F wdm_hp_mo_b_a_b.F wdm_hp_mo_b_b_a.F wdm_hp_mo_b_b_b.F wdm_hp_mo_b_c.F wdm_hp_mo_b_d_a.F wdm_hp_mo_b_d_b.F wdm_hp_mo_b_e_a.F wdm_hp_mo_b_e_b.F wdm_hp_mo_b_f.F wdm_hp_mo_c.F wdm_pp_mo_a.F wdm_pp_mo_b_a_a.F wdm_pp_mo_b_a_b.F wdm_pp_mo_b_b_a.F wdm_pp_mo_b_b_b.F wdm_pp_mo_b_c.F wdm_pp_mo_b_d_a.F wdm_pp_mo_b_d_b.F wdm_pp_mo_b_e_a.F wdm_pp_mo_b_e_b.F wdm_pp_mo_b_f.F eomccsd_1pdm_hh_mo.F eomccsd_1pdm_pp_mo.F tce_eomccsd_1prdm.F eomccsd_2pdm_hhhh_mo.F eomccsd_2pdm_hhhp_mo.F eomccsd_2pdm_hhpp_mo.F eomccsd_2pdm_hphh_mo.F eomccsd_2pdm_hphp_mo.F eomccsd_2pdm_hppp_mo.F eomccsd_2pdm_pphh_mo.F eomccsd_2pdm_pphp_mo.F eomccsd_2pdm_pppp_mo.F eomccsd_z1.F eomccsd_z2.F eomccsd_2pdm_pphh_zvec_mo.F eomccsd_1pdm_hp_mo.F eomccsd_1pdm_ph_mo.F eomccsd_x1_grad.F eomccsd_x2_grad.F tce_eom_xdiagon_grad.F tce_cisdt_denominator.F cisdtq_2pdm_hhhh_mo.F cisdtq_2pdm_hphp_mo.F cisdtq_2pdm_hppp_mo.F cisdtq_2pdm_pphp_mo.F cisdtq_2pdm_pppp_mo.F mp4_1pdm_pp_mo_III_b.F tce_cis_denominator.F cisd_1pdm_hh_mo.F ccsdt_2pdm_hphh_mo.F ccsdt_2pdm_hhhp_mo.F mp3_1pdm_hh_mo.F ccsdt_2pdm_pphh_mo.F tce_cisdtq_denominator.F tce_mp4_t24.F cis_x1.F cisd_2pdm_hhhh_mo.F mp4_1pdm_hh_mo_II.F cisd_2pdm_hphp_mo.F cisdtq_1pdm_hh_mo.F cisd_2pdm_hppp_mo.F cisd_2pdm_pphp_mo.F cis_1pdm_pp_mo.F cisd_2pdm_pppp_mo.F ccsdt_1pdm_pp_mo.F cisdt_1pdm_pp_mo.F mp4_2pdm_hphh_mo.F mp2_1pdm_hh_mo.F mp4_2pdm_pphh_mo.F ccsdtq_2pdm_hphh_mo.F ccsdtq_2pdm_hhhp_mo.F cis_2pdm_hphp_mo.F tce_cisd_denominator.F ccsdtq_2pdm_pphh_mo.F cisdt_2pdm_hhhh_mo.F mp4_1pdm_hh_mo_III_a.F ccsdtq_1pdm_pp_mo.F cisdt_2pdm_hphp_mo.F btrans1.F cisdt_2pdm_hppp_mo.F cisdt_2pdm_pphp_mo.F cisdt_2pdm_pppp_mo.F cisdtq_2pdm_hphh_mo.F cisdtq_2pdm_hhhp_mo.F wdm_hp_mo_b_d_a.F cisdtq_2pdm_pphh_mo.F cisdtq_2pdm_hhpp_mo.F mp4_1pdm_hh_mo_III_b.F btrans2.F ccsdt_2pdm_hhhh_mo.F wdm_hp_mo_b_d_b.F ccsdt_2pdm_hphp_mo.F cisd_1pdm_pp_mo.F ccsdt_2pdm_hppp_mo.F ccsdt_2pdm_pphp_mo.F mp3_1pdm_pp_mo.F ccsdt_2pdm_pppp_mo.F tce_mp2_norm.F cisd_2pdm_hphh_mo.F cisd_2pdm_hhhp_mo.F cis_1pdm_hh_mo.F cisd_2pdm_pphh_mo.F cisd_2pdm_hhpp_mo.F wdm_hp_mo_b_e_a.F ccsdt_1pdm_hh_mo.F mp4_1pdm_pp_mo_II.F cisdt_1pdm_hh_mo.F cisdtq_1pdm_pp_mo.F ccsdt_1pdm_ph_mo.F mp4_2pdm_hhhh_mo.F cis_xdiagon.F mp4_2pdm_hphp_mo.F ccsdtq_2pdm_hhhh_mo.F mp4_2pdm_pphp_mo.F mp2_1pdm_pp_mo.F mp3_2pdm_hhhh_mo.F ccsdtq_1pdm_hh_mo.F mp4_2pdm_pppp_mo.F ccsdtq_2pdm_hphp_mo.F wdm_hp_mo_b_e_b.F ccsdtq_1pdm_ph_mo.F ccsdtq_2pdm_hppp_mo.F ccsdtq_2pdm_pphp_mo.F cisdt_2pdm_hphh_mo.F cisdt_2pdm_hhhp_mo.F mp3_2pdm_hphp_mo.F ccsdtq_2pdm_pppp_mo.F cisdt_2pdm_pphh_mo.F cisdt_2pdm_hhpp_mo.F mp4_1pdm_pp_mo_III_a.F mp3_2pdm_pppp_mo.F converting ccsd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_1pdm_hp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_b_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_b_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_c_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_c_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_d.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_e_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_e_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_f_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_f_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_a_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_a_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_b_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_b_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_c.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_d_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_d_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_e_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_e_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_f.F to 32-bit integers for BLAS/LAPACK converting zvec_x_c_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_c_b.F to 32-bit integers for BLAS/LAPACK converting ccsd_zvec.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_b_b_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_b_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_b_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_c_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_c_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_d.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_e_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_e_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_f_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_f_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_d.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_b_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_c.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_e_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_f.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_c.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_b_b.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_c.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_e_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_f.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting tce_eomccsd_1prdm.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_z1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_z2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_pphh_zvec_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1pdm_hp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x1_grad.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x2_grad.F to 32-bit integers for BLAS/LAPACK converting tce_eom_xdiagon_grad.F to 32-bit integers for BLAS/LAPACK converting tce_cisdt_denominator.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_pp_mo_III_b.F to 32-bit integers for BLAS/LAPACK converting tce_cis_denominator.F to 32-bit integers for BLAS/LAPACK converting cisd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting mp3_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting tce_cisdtq_denominator.F to 32-bit integers for BLAS/LAPACK converting tce_mp4_t24.F to 32-bit integers for BLAS/LAPACK converting cis_x1.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_hh_mo_II.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting cis_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting mp2_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting cis_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting tce_cisd_denominator.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_hh_mo_III_a.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting btrans1.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_hh_mo_III_b.F to 32-bit integers for BLAS/LAPACK converting btrans2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting mp3_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting tce_mp2_norm.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting cis_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_e_a.F to 32-bit integers for BLAS/LAPACK converting ccsdt_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_pp_mo_II.F to 32-bit integers for BLAS/LAPACK converting cisdt_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting cis_xdiagon.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting mp2_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting mp3_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting mp3_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_pp_mo_III_a.F to 32-bit integers for BLAS/LAPACK converting mp3_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/gradients' Making 32_to_64 in ccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 ccsd_e.F ccsd_t1.F ccsd_t2.F cc2_t1.F cc2_t2.F ccsd_1prdm_hh.F ccsd_1prdm_hp.F ccsd_1prdm_ph.F ccsd_1prdm_pp.F ccsd_1prdm.F icsd_t1.F icsd_t2.F ccsd_t2_8.F ccsd_kernels.F sd_t2_8_loops.F converting ccsd_e.F to 32-bit integers for BLAS/LAPACK converting ccsd_t1.F to 32-bit integers for BLAS/LAPACK converting ccsd_t2.F to 32-bit integers for BLAS/LAPACK converting cc2_t1.F to 32-bit integers for BLAS/LAPACK converting cc2_t2.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm_hh.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm_hp.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm_ph.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm_pp.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm.F to 32-bit integers for BLAS/LAPACK converting icsd_t1.F to 32-bit integers for BLAS/LAPACK converting icsd_t2.F to 32-bit integers for BLAS/LAPACK converting ccsd_t2_8.F to 32-bit integers for BLAS/LAPACK converting ccsd_kernels.F to 32-bit integers for BLAS/LAPACK converting sd_t2_8_loops.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd' Making 32_to_64 in ccsd_lambda make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_lambda' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 ccsd_density1.F ccsd_lambda1_1.F ccsd_lambda1_2.F ccsd_lambda2.F ccsd_lambda1_mod.F converting ccsd_density1.F to 32-bit integers for BLAS/LAPACK converting ccsd_lambda1_1.F to 32-bit integers for BLAS/LAPACK converting ccsd_lambda1_2.F to 32-bit integers for BLAS/LAPACK converting ccsd_lambda2.F to 32-bit integers for BLAS/LAPACK converting ccsd_lambda1_mod.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_lambda' Making 32_to_64 in eomccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 eomccsd_x1.F eomccsd_x2.F eomccsd_y1.F eomccsd_y2.F eomccsd_denominator.F eomccsd_density1.F cc2_x1.F cc2_x2.F eomccsd_1prdm_hh.F eomccsd_1prdm_hp.F eomccsd_1prdm_ph.F eomccsd_1prdm_pp.F eomccsd_1prdm.F eomccsd_x1_old.F eomccsd_x2_old.F eomicsd_x1.F eomicsd_x2.F converting eomccsd_x1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_y1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_y2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_denominator.F to 32-bit integers for BLAS/LAPACK converting eomccsd_density1.F to 32-bit integers for BLAS/LAPACK converting cc2_x1.F to 32-bit integers for BLAS/LAPACK converting cc2_x2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm_hh.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm_hp.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm_ph.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm_pp.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x1_old.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x2_old.F to 32-bit integers for BLAS/LAPACK converting eomicsd_x1.F to 32-bit integers for BLAS/LAPACK converting eomicsd_x2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsd' Making 32_to_64 in ccsd_t make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_t' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 ccsd_t_doubles.F ccsd_t_singles.F ccsd_t_doubles_l.F ccsd_t_singles_l.F lambda_ccsd_t_left.F ccsd2_q_left.F ccsd2_q_right.F ccsd2_t_left.F ccsdt2_q_left.F ccsdt2_q_right.F cr_ccsd_t_D.F cr_ccsd_t_E.F cr_ccsd_t_N.F lr_ccsd_tq.F cr_qcisd_t.F m2_dot_m1t1.F ccsd_t_singles_l_6dts.F ccsd_t_doubles_l_6dts.F ccsd_t.F converting ccsd_t_doubles.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_singles.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_doubles_l.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_singles_l.F to 32-bit integers for BLAS/LAPACK converting lambda_ccsd_t_left.F to 32-bit integers for BLAS/LAPACK converting ccsd2_q_left.F to 32-bit integers for BLAS/LAPACK converting ccsd2_q_right.F to 32-bit integers for BLAS/LAPACK converting ccsd2_t_left.F to 32-bit integers for BLAS/LAPACK converting ccsdt2_q_left.F to 32-bit integers for BLAS/LAPACK converting ccsdt2_q_right.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_D.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_E.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_N.F to 32-bit integers for BLAS/LAPACK converting lr_ccsd_tq.F to 32-bit integers for BLAS/LAPACK converting cr_qcisd_t.F to 32-bit integers for BLAS/LAPACK converting m2_dot_m1t1.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_singles_l_6dts.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_doubles_l_6dts.F to 32-bit integers for BLAS/LAPACK converting ccsd_t.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_t' Making 32_to_64 in cr-eomccsd_t make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cr-eomccsd_t' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 c1_c1.F c2_c2.F c2excit2.F cr_eomccsd_t_n2_1_1_2_2.F cr_eomccsd_t_n2_1_1_2.F cr_eomccsd_t_n2_1_1_3.F cr_eomccsd_t_n2_1_1.F cr_eomccsd_t_n2_1_2.F cr_eomccsd_t_n2_1_3_1.F cr_eomccsd_t_n2_1_3_2_1.F cr_eomccsd_t_n2_1_3_2.F cr_eomccsd_t_n2_1_3_3.F cr_eomccsd_t_n2_1_3.F cr_eomccsd_t_n2_1_4_1.F cr_eomccsd_t_n2_1_4.F cr_eomccsd_t_n2_1_5_1.F cr_eomccsd_t_n2_1_5.F cr_eomccsd_t_n2_1_6_1.F cr_eomccsd_t_n2_1_6.F cr_eomccsd_t_n2_1_7_2.F cr_eomccsd_t_n2_1_7.F cr_eomccsd_t_n2_1_8_2.F cr_eomccsd_t_n2_1_8.F cr_eomccsd_t_n2_1_9.F cr_eomccsd_t_n2_1.F cr_eomccsd_t_n2_2_1_2.F cr_eomccsd_t_n2_2_1_3.F cr_eomccsd_t_n2_2_1_4.F cr_eomccsd_t_n2_2_1.F cr_eomccsd_t_n2_2.F cr_eomccsd_t_n2_3_1.F cr_eomccsd_t_n2_3_2_1.F cr_eomccsd_t_n2_3_2.F cr_eomccsd_t_n2_3_3_2.F cr_eomccsd_t_n2_3_3.F cr_eomccsd_t_n2_3_4.F cr_eomccsd_t_n2_3.F cr_eomccsd_t_n2_4_1_1.F cr_eomccsd_t_n2_4_1_2_1.F cr_eomccsd_t_n2_4_1_2.F cr_eomccsd_t_n2_4_1_3_1.F cr_eomccsd_t_n2_4_1_3.F cr_eomccsd_t_n2_4_1_4.F cr_eomccsd_t_n2_4_1.F cr_eomccsd_t_n2_4_2_2_2.F cr_eomccsd_t_n2_4_2_2.F cr_eomccsd_t_n2_4_2_3.F cr_eomccsd_t_n2_4_2_4.F cr_eomccsd_t_n2_4_2.F cr_eomccsd_t_n2_4.F cr_eomccsd_t_n2_5_2_2_2.F cr_eomccsd_t_n2_5_2_2.F cr_eomccsd_t_n2_5_2_3.F cr_eomccsd_t_n2_5_2.F cr_eomccsd_t_n2_5_3_2.F cr_eomccsd_t_n2_5_3.F cr_eomccsd_t_n2_5_4_2.F cr_eomccsd_t_n2_5_4.F cr_eomccsd_t_n2_5_5_2.F cr_eomccsd_t_n2_5_5.F cr_eomccsd_t_n2_5_6.F cr_eomccsd_t_n2_5.F cr_eomccsd_t_n2_6_2.F cr_eomccsd_t_n2_6_3_2.F cr_eomccsd_t_n2_6_3.F cr_eomccsd_t_n2_6_4.F cr_eomccsd_t_n2_6.F cr_s_m3.F nr0.F q3rexpt2.F t2t12.F creomccsd_t_n2_mem.F cr_eomccsd_t.F q3rexpt2_6dts.F creomccsd_t_n2_mem_6dts.F cr_eomccsd_t_6dts.F cr_ccsd_t_N_6dts.F cr_ccsd_t_E_6dts.F cr_eomccsd_t_6dts_d4d5_parallel.F converting c1_c1.F to 32-bit integers for BLAS/LAPACK converting c2_c2.F to 32-bit integers for BLAS/LAPACK converting c2excit2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_1_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_1_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_1_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_4_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_5_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_5.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_6_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_6.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_7_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_7.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_8_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_8.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_9.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2_1_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2_1_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2_1_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_3_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_2_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_2_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_4_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_5_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_5.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_6.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6.F to 32-bit integers for BLAS/LAPACK converting cr_s_m3.F to 32-bit integers for BLAS/LAPACK converting nr0.F to 32-bit integers for BLAS/LAPACK converting q3rexpt2.F to 32-bit integers for BLAS/LAPACK converting t2t12.F to 32-bit integers for BLAS/LAPACK converting creomccsd_t_n2_mem.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t.F to 32-bit integers for BLAS/LAPACK converting q3rexpt2_6dts.F to 32-bit integers for BLAS/LAPACK converting creomccsd_t_n2_mem_6dts.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_6dts.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_N_6dts.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_E_6dts.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_6dts_d4d5_parallel.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cr-eomccsd_t' Making 32_to_64 in lrh make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lrh' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lrh' Making 32_to_64 in emb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/emb' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 c2vt1_s.F c1v.F converting c2vt1_s.F to 32-bit integers for BLAS/LAPACK converting c1v.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/emb' Making 32_to_64 in ccd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 ccd_e.F ccd_t2.F converting ccd_e.F to 32-bit integers for BLAS/LAPACK converting ccd_t2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccd' Making 32_to_64 in lccd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lccd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 lccd_e.F lccd_t2.F converting lccd_e.F to 32-bit integers for BLAS/LAPACK converting lccd_t2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lccd' Making 32_to_64 in lccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lccsd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 lccsd_e.F lccsd_t1.F lccsd_t2.F converting lccsd_e.F to 32-bit integers for BLAS/LAPACK converting lccsd_t1.F to 32-bit integers for BLAS/LAPACK converting lccsd_t2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/lccsd' Making 32_to_64 in qcisd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/qcisd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 qcisd_e.F qcisd_t1.F qcisd_t2.F converting qcisd_e.F to 32-bit integers for BLAS/LAPACK converting qcisd_t1.F to 32-bit integers for BLAS/LAPACK converting qcisd_t2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/qcisd' Making 32_to_64 in cc3 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cc3' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 cc3_t3.F ccsdt1b_t3.F ccsdt2_t3.F ccsdt3_t3.F eomccsdt1_x3.F eomcc3_x3.F eomccsdt3_x3.F cc3_lambda3.F converting cc3_t3.F to 32-bit integers for BLAS/LAPACK converting ccsdt1b_t3.F to 32-bit integers for BLAS/LAPACK converting ccsdt2_t3.F to 32-bit integers for BLAS/LAPACK converting ccsdt3_t3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt1_x3.F to 32-bit integers for BLAS/LAPACK converting eomcc3_x3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt3_x3.F to 32-bit integers for BLAS/LAPACK converting cc3_lambda3.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cc3' Making 32_to_64 in mbpt1 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt1' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 mbpt1_t1.F mbpt1_t2.F converting mbpt1_t1.F to 32-bit integers for BLAS/LAPACK converting mbpt1_t2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt1' Making 32_to_64 in mbpt2 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt2' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 mbpt2_e.F mbpt2_t1.F mbpt2_t2_b.F mbpt2_t2.F mbpt2_t3.F mbpt2_t1_sd.F mbpt2_t2_sd.F mbpt2_t4.F converting mbpt2_e.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t1.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t2_b.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t2.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t3.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t1_sd.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t2_sd.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t4.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt2' Making 32_to_64 in mbpt3 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt3' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 mbpt3_e.F mbpt3_t1.F mbpt3_t2.F mbpt3_t1_sd.F mbpt3_t2_sd.F converting mbpt3_e.F to 32-bit integers for BLAS/LAPACK converting mbpt3_t1.F to 32-bit integers for BLAS/LAPACK converting mbpt3_t2.F to 32-bit integers for BLAS/LAPACK converting mbpt3_t1_sd.F to 32-bit integers for BLAS/LAPACK converting mbpt3_t2_sd.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt3' Making 32_to_64 in mbpt4 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt4' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 mbpt4_e.F converting mbpt4_e.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mbpt4' Making 32_to_64 in cis make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cis' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 cis_x1.F cis_xdiagon.F converting cis_x1.F to 32-bit integers for BLAS/LAPACK converting cis_xdiagon.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cis' Making 32_to_64 in cisd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 cisd_c1.F cisd_c2.F cisd_e.F converting cisd_c1.F to 32-bit integers for BLAS/LAPACK converting cisd_c2.F to 32-bit integers for BLAS/LAPACK converting cisd_e.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisd' Making 32_to_64 in cisdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisdt' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 cisdt_c1.F cisdt_c2.F cisdt_c3.F cisdt_e.F converting cisdt_c1.F to 32-bit integers for BLAS/LAPACK converting cisdt_c2.F to 32-bit integers for BLAS/LAPACK converting cisdt_c3.F to 32-bit integers for BLAS/LAPACK converting cisdt_e.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisdt' Making 32_to_64 in cisdtq make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisdtq' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 cisdtq_c1.F cisdtq_c2.F cisdtq_c3.F cisdtq_c4.F cisdtq_e.F converting cisdtq_c1.F to 32-bit integers for BLAS/LAPACK converting cisdtq_c2.F to 32-bit integers for BLAS/LAPACK converting cisdtq_c3.F to 32-bit integers for BLAS/LAPACK converting cisdtq_c4.F to 32-bit integers for BLAS/LAPACK converting cisdtq_e.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cisdtq' Making 32_to_64 in ccsd_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_act' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 ccsd_ea.F ccsd_t1a.F ccsd_t2a.F diag1_act2.F diag2_act2.F converting ccsd_ea.F to 32-bit integers for BLAS/LAPACK converting ccsd_t1a.F to 32-bit integers for BLAS/LAPACK converting ccsd_t2a.F to 32-bit integers for BLAS/LAPACK converting diag1_act2.F to 32-bit integers for BLAS/LAPACK converting diag2_act2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_act' Making 32_to_64 in eomccsd_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsd_act' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 eomccsd_x1a.F eomccsd_x2a.F q2na_hc1.F converting eomccsd_x1a.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x2a.F to 32-bit integers for BLAS/LAPACK converting q2na_hc1.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsd_act' Making 32_to_64 in cr_eomccsd_t_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cr_eomccsd_t_act' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 cr_ccsd_t_E_act.F q3rexpt2_act.F cr_ccsd_t_N_act.F creomccsd_t_n2_act_mem.F cr_eomt_simac.F ccsd_t_d_act.F cr_eomccsd_t_act.F cr_eomccsd_tasim.F converting cr_ccsd_t_E_act.F to 32-bit integers for BLAS/LAPACK converting q3rexpt2_act.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_N_act.F to 32-bit integers for BLAS/LAPACK converting creomccsd_t_n2_act_mem.F to 32-bit integers for BLAS/LAPACK converting cr_eomt_simac.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_d_act.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_act.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_tasim.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/cr_eomccsd_t_act' Making 32_to_64 in sort make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/sort' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/sort' Making 32_to_64 in ducc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ducc' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 rot_vir.F map_hcore.F converting rot_vir.F to 32-bit integers for BLAS/LAPACK converting map_hcore.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ducc' Making 32_to_64 in ucc4 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ucc4' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 ucc4_e_new.F ucc4_t1_new.F ucc4_t2.F ucc4_t2_t2_v_t.F ucc4_t3.F converting ucc4_e_new.F to 32-bit integers for BLAS/LAPACK converting ucc4_t1_new.F to 32-bit integers for BLAS/LAPACK converting ucc4_t2.F to 32-bit integers for BLAS/LAPACK converting ucc4_t2_t2_v_t.F to 32-bit integers for BLAS/LAPACK converting ucc4_t3.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ucc4' Making 32_to_64 in eaccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eaccsd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 eaccsd_x1.F eaccsd_x2.F tce_print_eax1.F tce_print_eax2.F tce_eax1_offset.F tce_eax2_offset.F tce_eom_eaxguess.F tce_jacobi_eax1.F tce_jacobi_eax2.F converting eaccsd_x1.F to 32-bit integers for BLAS/LAPACK converting eaccsd_x2.F to 32-bit integers for BLAS/LAPACK converting tce_print_eax1.F to 32-bit integers for BLAS/LAPACK converting tce_print_eax2.F to 32-bit integers for BLAS/LAPACK converting tce_eax1_offset.F to 32-bit integers for BLAS/LAPACK converting tce_eax2_offset.F to 32-bit integers for BLAS/LAPACK converting tce_eom_eaxguess.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_eax1.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_eax2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eaccsd' Making 32_to_64 in ipccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ipccsd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 ipccsd_x1.F ipccsd_x2.F tce_print_ipx1.F tce_print_ipx2.F tce_ipx1_offset.F tce_ipx2_offset.F tce_eom_ipxguess.F tce_jacobi_ipx1.F tce_jacobi_ipx2.F converting ipccsd_x1.F to 32-bit integers for BLAS/LAPACK converting ipccsd_x2.F to 32-bit integers for BLAS/LAPACK converting tce_print_ipx1.F to 32-bit integers for BLAS/LAPACK converting tce_print_ipx2.F to 32-bit integers for BLAS/LAPACK converting tce_ipx1_offset.F to 32-bit integers for BLAS/LAPACK converting tce_ipx2_offset.F to 32-bit integers for BLAS/LAPACK converting tce_eom_ipxguess.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_ipx1.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_ipx2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ipccsd' Making 32_to_64 in ccsdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsdt' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 ccsdt_e.F ccsdt_t1a.F ccsdt_t1.F ccsdt_t2a.F ccsdt_t2.F ccsdt_t3_1_2_2_2.F ccsdt_t3_1_2_2.F ccsdt_t3_1_2_3.F ccsdt_t3_1_2.F ccsdt_t3_1_3_2.F ccsdt_t3_1_3.F ccsdt_t3_1_4_2.F ccsdt_t3_1_4.F ccsdt_t3_1_5_2.F ccsdt_t3_1_5.F ccsdt_t3_1_6.F ccsdt_t3_1_7.F ccsdt_t3_1.F ccsdt_t3_2_2.F ccsdt_t3_2_3_2.F ccsdt_t3_2_3.F ccsdt_t3_2_4.F ccsdt_t3_2_5.F ccsdt_t3_2.F ccsdt_t3_3_2_2.F ccsdt_t3_3_2.F ccsdt_t3_3_3.F ccsdt_t3_3_4.F ccsdt_t3_3.F ccsdt_t3_4_2.F ccsdt_t3_4_3.F ccsdt_t3_4.F ccsdt_t3_5_2_2.F ccsdt_t3_5_2.F ccsdt_t3_5_3.F ccsdt_t3_5.F ccsdt_t3_6_2.F ccsdt_t3_6_3.F ccsdt_t3_6.F ccsdt_t3_7.F ccsdt_t3_8_1_2_2.F ccsdt_t3_8_1_2.F ccsdt_t3_8_1_3.F ccsdt_t3_8_1_4.F ccsdt_t3_8_1.F ccsdt_t3_8_2_2.F ccsdt_t3_8_2.F ccsdt_t3_8_3_2.F ccsdt_t3_8_3.F ccsdt_t3_8_4.F ccsdt_t3_8_5_1.F ccsdt_t3_8_5.F ccsdt_t3_8.F ccsdt_t3_9_1.F ccsdt_t3_9.F ccsdt_t3a_1_2_2_2.F ccsdt_t3a_1_2_2.F ccsdt_t3a_1_2_3.F ccsdt_t3a_1_2.F ccsdt_t3a_1_3_2.F ccsdt_t3a_1_3.F ccsdt_t3a_1_4_2.F ccsdt_t3a_1_4.F ccsdt_t3a_1_5_2.F ccsdt_t3a_1_5.F ccsdt_t3a_1_6.F ccsdt_t3a_1_7.F ccsdt_t3a_1.F ccsdt_t3a_2_2.F ccsdt_t3a_2_3_2.F ccsdt_t3a_2_3.F ccsdt_t3a_2_4.F ccsdt_t3a_2_5.F ccsdt_t3a_2.F ccsdt_t3a_3_2_2.F ccsdt_t3a_3_2.F ccsdt_t3a_3_3.F ccsdt_t3a_3_4.F ccsdt_t3a_3.F ccsdt_t3a_4_2.F ccsdt_t3a_4_3.F ccsdt_t3a_4.F ccsdt_t3a_5_2_2.F ccsdt_t3a_5_2.F ccsdt_t3a_5_3.F ccsdt_t3a_5.F ccsdt_t3a_6_2.F ccsdt_t3a_6_3.F ccsdt_t3a_6.F ccsdt_t3a_7.F ccsdt_t3a_8_1_2_2.F ccsdt_t3a_8_1_2.F ccsdt_t3a_8_1_3.F ccsdt_t3a_8_1_4.F ccsdt_t3a_8_1.F ccsdt_t3a_8_2_2.F ccsdt_t3a_8_2.F ccsdt_t3a_8_3_2.F ccsdt_t3a_8_3.F ccsdt_t3a_8_4.F ccsdt_t3a_8_5_1.F ccsdt_t3a_8_5.F ccsdt_t3a_8.F ccsdt_t3a_9_1.F ccsdt_t3a_9.F converting ccsdt_e.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t1a.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t2a.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_9.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsdt' Making 32_to_64 in ccsdt_lambda make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsdt_lambda' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 ccsdt_density1.F ccsdt_lambda1_10_1.F ccsdt_lambda1_10_2.F ccsdt_lambda1_10_3.F ccsdt_lambda1_10.F ccsdt_lambda1_11_1.F ccsdt_lambda1_11_2.F ccsdt_lambda1_11_3.F ccsdt_lambda1_11.F ccsdt_lambda1_12_1.F ccsdt_lambda1_12_2.F ccsdt_lambda1_12_3.F ccsdt_lambda1_12.F ccsdt_lambda1_13_1.F ccsdt_lambda1_13_2.F ccsdt_lambda1_13.F ccsdt_lambda1_14_1.F ccsdt_lambda1_14_2.F ccsdt_lambda1_14_3_1.F ccsdt_lambda1_14_3_2.F ccsdt_lambda1_14_3_3_1.F ccsdt_lambda1_14_3_3_2.F ccsdt_lambda1_14_3_3.F ccsdt_lambda1_14_3.F ccsdt_lambda1_14_4_1.F ccsdt_lambda1_14_4.F ccsdt_lambda1_14_5_1.F ccsdt_lambda1_14_5_2.F ccsdt_lambda1_14_5.F ccsdt_lambda1_14_6_1.F ccsdt_lambda1_14_6.F ccsdt_lambda1_14_7_1.F ccsdt_lambda1_14_7.F ccsdt_lambda1_14_8_1.F ccsdt_lambda1_14_8.F ccsdt_lambda1_14_9_1_1.F ccsdt_lambda1_14_9_1.F ccsdt_lambda1_14_9.F ccsdt_lambda1_14.F ccsdt_lambda1_15_1.F ccsdt_lambda1_15_2.F ccsdt_lambda1_15_3_1.F ccsdt_lambda1_15_3.F ccsdt_lambda1_15_4_1.F ccsdt_lambda1_15_4.F ccsdt_lambda1_15.F ccsdt_lambda1_16_1.F ccsdt_lambda1_16_2.F ccsdt_lambda1_16_3_1.F ccsdt_lambda1_16_3_2.F ccsdt_lambda1_16_3.F ccsdt_lambda1_16_4_1.F ccsdt_lambda1_16_4.F ccsdt_lambda1_16.F ccsdt_lambda1_17_1.F ccsdt_lambda1_17.F ccsdt_lambda1_18_1_2.F ccsdt_lambda1_18_1_3.F ccsdt_lambda1_18_1_4.F ccsdt_lambda1_18_1.F ccsdt_lambda1_18_2_2.F ccsdt_lambda1_18_2.F ccsdt_lambda1_18_3_2.F ccsdt_lambda1_18_3.F ccsdt_lambda1_18_4.F ccsdt_lambda1_18_5_1.F ccsdt_lambda1_18_5.F ccsdt_lambda1_18_6_1_1.F ccsdt_lambda1_18_6_1.F ccsdt_lambda1_18_6.F ccsdt_lambda1_18.F ccsdt_lambda1_19_1.F ccsdt_lambda1_19.F ccsdt_lambda1_20_1_1.F ccsdt_lambda1_20_1.F ccsdt_lambda1_20.F ccsdt_lambda1_21_1_1.F ccsdt_lambda1_21_1.F ccsdt_lambda1_21_2_1_1.F ccsdt_lambda1_21_2_1.F ccsdt_lambda1_21_2.F ccsdt_lambda1_21.F ccsdt_lambda1_2_2_2.F ccsdt_lambda1_2_2.F ccsdt_lambda1_2_3.F ccsdt_lambda1_2_4.F ccsdt_lambda1_2.F ccsdt_lambda1_3_2.F ccsdt_lambda1_3_3_1.F ccsdt_lambda1_3_3.F ccsdt_lambda1_3.F ccsdt_lambda1_4.F ccsdt_lambda1_5_2_2_2.F ccsdt_lambda1_5_2_2.F ccsdt_lambda1_5_2_3.F ccsdt_lambda1_5_2_4.F ccsdt_lambda1_5_2.F ccsdt_lambda1_5_3_2.F ccsdt_lambda1_5_3.F ccsdt_lambda1_5_4.F ccsdt_lambda1_5_5_2.F ccsdt_lambda1_5_5.F ccsdt_lambda1_5_6_2.F ccsdt_lambda1_5_6.F ccsdt_lambda1_5_7.F ccsdt_lambda1_5_8.F ccsdt_lambda1_5.F ccsdt_lambda1_6_2_2_2.F ccsdt_lambda1_6_2_2.F ccsdt_lambda1_6_2_3.F ccsdt_lambda1_6_2.F ccsdt_lambda1_6_3_2.F ccsdt_lambda1_6_3.F ccsdt_lambda1_6_4_2.F ccsdt_lambda1_6_4.F ccsdt_lambda1_6_5_2.F ccsdt_lambda1_6_5.F ccsdt_lambda1_6_6.F ccsdt_lambda1_6_7.F ccsdt_lambda1_6.F ccsdt_lambda1_7_2.F ccsdt_lambda1_7.F ccsdt_lambda1_8_10_2.F ccsdt_lambda1_8_10.F ccsdt_lambda1_8_11.F ccsdt_lambda1_8_12_1.F ccsdt_lambda1_8_12_2.F ccsdt_lambda1_8_12_3.F ccsdt_lambda1_8_12.F ccsdt_lambda1_8_13_1.F ccsdt_lambda1_8_13_2.F ccsdt_lambda1_8_13_3.F ccsdt_lambda1_8_13.F ccsdt_lambda1_8_14_1.F ccsdt_lambda1_8_14_2.F ccsdt_lambda1_8_14.F ccsdt_lambda1_8_2_2_2_2.F ccsdt_lambda1_8_2_2_2.F ccsdt_lambda1_8_2_2_3.F ccsdt_lambda1_8_2_2.F ccsdt_lambda1_8_2_3_2.F ccsdt_lambda1_8_2_3.F ccsdt_lambda1_8_2_4.F ccsdt_lambda1_8_2_5_1.F ccsdt_lambda1_8_2_5.F ccsdt_lambda1_8_2.F ccsdt_lambda1_8_3_2.F ccsdt_lambda1_8_3.F ccsdt_lambda1_8_4_2_1.F ccsdt_lambda1_8_4_2.F ccsdt_lambda1_8_4.F ccsdt_lambda1_8_5_2_1.F ccsdt_lambda1_8_5_2.F ccsdt_lambda1_8_5.F ccsdt_lambda1_8_6_2_2.F ccsdt_lambda1_8_6_2.F ccsdt_lambda1_8_6_3.F ccsdt_lambda1_8_6.F ccsdt_lambda1_8_7_2.F ccsdt_lambda1_8_7_3.F ccsdt_lambda1_8_7.F ccsdt_lambda1_8_8.F ccsdt_lambda1_8_9_2.F ccsdt_lambda1_8_9.F ccsdt_lambda1_8.F ccsdt_lambda1_9_2.F ccsdt_lambda1_9_3.F ccsdt_lambda1_9_4_1.F ccsdt_lambda1_9_4_2.F ccsdt_lambda1_9_4_3.F ccsdt_lambda1_9_4.F ccsdt_lambda1_9_5_1.F ccsdt_lambda1_9_5_2.F ccsdt_lambda1_9_5.F ccsdt_lambda1_9_6_1.F ccsdt_lambda1_9_6.F ccsdt_lambda1_9.F ccsdt_lambda2_10_2_2_2.F ccsdt_lambda2_10_2_2.F ccsdt_lambda2_10_2_3.F ccsdt_lambda2_10_2_4.F ccsdt_lambda2_10_2.F ccsdt_lambda2_10_3_2.F ccsdt_lambda2_10_3_3.F ccsdt_lambda2_10_3.F ccsdt_lambda2_10_4.F ccsdt_lambda2_10_5_2.F ccsdt_lambda2_10_5.F ccsdt_lambda2_10_6.F ccsdt_lambda2_10_7.F ccsdt_lambda2_10_8.F ccsdt_lambda2_10.F ccsdt_lambda2_11_2_2_2.F ccsdt_lambda2_11_2_2.F ccsdt_lambda2_11_2_3.F ccsdt_lambda2_11_2.F ccsdt_lambda2_11_3_2.F ccsdt_lambda2_11_3.F ccsdt_lambda2_11_4_2.F ccsdt_lambda2_11_4.F ccsdt_lambda2_11_5_2.F ccsdt_lambda2_11_5.F ccsdt_lambda2_11_6.F ccsdt_lambda2_11_7.F ccsdt_lambda2_11.F ccsdt_lambda2_12_2.F ccsdt_lambda2_12_3_2.F ccsdt_lambda2_12_3.F ccsdt_lambda2_12_4.F ccsdt_lambda2_12_5.F ccsdt_lambda2_12_6_1.F ccsdt_lambda2_12_6.F ccsdt_lambda2_12_7_1.F ccsdt_lambda2_12_7.F ccsdt_lambda2_12.F ccsdt_lambda2_13_1.F ccsdt_lambda2_13_2.F ccsdt_lambda2_13_3.F ccsdt_lambda2_13.F ccsdt_lambda2_14_1.F ccsdt_lambda2_14_2.F ccsdt_lambda2_14.F ccsdt_lambda2_15_1.F ccsdt_lambda2_15_2.F ccsdt_lambda2_15.F ccsdt_lambda2_16_1.F ccsdt_lambda2_16_2.F ccsdt_lambda2_16.F ccsdt_lambda2_17_1.F ccsdt_lambda2_17.F ccsdt_lambda2_18_1.F ccsdt_lambda2_18_2.F ccsdt_lambda2_18.F ccsdt_lambda2_19_1.F ccsdt_lambda2_19_2.F ccsdt_lambda2_19_3_1.F ccsdt_lambda2_19_3.F ccsdt_lambda2_19_4_1.F ccsdt_lambda2_19_4.F ccsdt_lambda2_19.F ccsdt_lambda2_20_1.F ccsdt_lambda2_20.F ccsdt_lambda2_21_1.F ccsdt_lambda2_21.F ccsdt_lambda2_22_1.F ccsdt_lambda2_2_2.F ccsdt_lambda2_22.F ccsdt_lambda2_23_1.F ccsdt_lambda2_23_2_1.F ccsdt_lambda2_23_2_2.F ccsdt_lambda2_23_2.F ccsdt_lambda2_23_3_1.F ccsdt_lambda2_23_3.F ccsdt_lambda2_23.F ccsdt_lambda2_24_1_1.F ccsdt_lambda2_24_1.F ccsdt_lambda2_24.F ccsdt_lambda2_25_1_1.F ccsdt_lambda2_25_1.F ccsdt_lambda2_25.F ccsdt_lambda2_26_1_1.F ccsdt_lambda2_26_1.F ccsdt_lambda2_26_2_1_1.F ccsdt_lambda2_26_2_1.F ccsdt_lambda2_26_2.F ccsdt_lambda2_26.F ccsdt_lambda2_2.F ccsdt_lambda2_3_2.F ccsdt_lambda2_3.F ccsdt_lambda2_4.F ccsdt_lambda2_5_2_2.F ccsdt_lambda2_5_2.F ccsdt_lambda2_5_3.F ccsdt_lambda2_5_4.F ccsdt_lambda2_5.F ccsdt_lambda2_6_2.F ccsdt_lambda2_6_3.F ccsdt_lambda2_6_4_1.F ccsdt_lambda2_6_4.F ccsdt_lambda2_6.F ccsdt_lambda2_7_2_2.F ccsdt_lambda2_7_2.F ccsdt_lambda2_7_3.F ccsdt_lambda2_7.F ccsdt_lambda2_8_2.F ccsdt_lambda2_8_3.F ccsdt_lambda2_8.F ccsdt_lambda2_9.F ccsdt_lambda3.F converting ccsdt_density1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_6_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_19.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_20_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_20.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_6_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_20.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_21.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_22_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_22.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_24_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_24_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_24.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_25_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_25_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_25.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_7_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda3.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsdt_lambda' Making 32_to_64 in eomccsdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsdt' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 eomccsdt_denominator.F eomccsdt_density1_1_1.F eomccsdt_density1_1_2.F eomccsdt_density1_1_3.F eomccsdt_density1_1.F eomccsdt_density1_2_1.F eomccsdt_density1_2_2_1.F eomccsdt_density1_2_2.F eomccsdt_density1_2.F eomccsdt_density1_3_1.F eomccsdt_density1_3_2.F eomccsdt_density1_3_3.F eomccsdt_density1_3_4_1.F eomccsdt_density1_3_4_2.F eomccsdt_density1_3_4_3.F eomccsdt_density1_3_4.F eomccsdt_density1_3_5_1.F eomccsdt_density1_3_5_2.F eomccsdt_density1_3_5.F eomccsdt_density1_3_6_1.F eomccsdt_density1_3_6.F eomccsdt_density1_3.F eomccsdt_density1_4_1.F eomccsdt_density1_4_2_1.F eomccsdt_density1_4_2.F eomccsdt_density1_4.F eomccsdt_density1_5_10_1.F eomccsdt_density1_5_10_2_1.F eomccsdt_density1_5_10_2_2.F eomccsdt_density1_5_10_2.F eomccsdt_density1_5_10_3_1.F eomccsdt_density1_5_10_3.F eomccsdt_density1_5_10.F eomccsdt_density1_5_11_1.F eomccsdt_density1_5_11.F eomccsdt_density1_5_12_1.F eomccsdt_density1_5_12.F eomccsdt_density1_5_13_1_1.F eomccsdt_density1_5_13_1.F eomccsdt_density1_5_13.F eomccsdt_density1_5_1.F eomccsdt_density1_5_2.F eomccsdt_density1_5_3_1.F eomccsdt_density1_5_3_2.F eomccsdt_density1_5_3_3.F eomccsdt_density1_5_3_4_1.F eomccsdt_density1_5_3_4_2.F eomccsdt_density1_5_3_4_3.F eomccsdt_density1_5_3_4.F eomccsdt_density1_5_3_5_1.F eomccsdt_density1_5_3_5_2.F eomccsdt_density1_5_3_5.F eomccsdt_density1_5_3_6_1.F eomccsdt_density1_5_3_6.F eomccsdt_density1_5_3.F eomccsdt_density1_5_4_1.F eomccsdt_density1_5_4_2.F eomccsdt_density1_5_4_3.F eomccsdt_density1_5_4.F eomccsdt_density1_5_5_1.F eomccsdt_density1_5_5_2.F eomccsdt_density1_5_5_3.F eomccsdt_density1_5_5.F eomccsdt_density1_5_6_1.F eomccsdt_density1_5_6_2.F eomccsdt_density1_5_6.F eomccsdt_density1_5_7_1.F eomccsdt_density1_5_7.F eomccsdt_density1_5_8_1.F eomccsdt_density1_5_8_2.F eomccsdt_density1_5_8_3.F eomccsdt_density1_5_8.F eomccsdt_density1_5_9_1.F eomccsdt_density1_5_9_2.F eomccsdt_density1_5_9.F eomccsdt_density1_5.F eomccsdt_density1_6_1.F eomccsdt_density1_6_2.F eomccsdt_density1_6_3_1.F eomccsdt_density1_6_3_2.F eomccsdt_density1_6_3.F eomccsdt_density1_6_4_1.F eomccsdt_density1_6_4_2.F eomccsdt_density1_6_4.F eomccsdt_density1_6_5_1.F eomccsdt_density1_6_5.F eomccsdt_density1_6.F eomccsdt_x1a.F eomccsdt_x1.F eomccsdt_x2a_all12.F eomccsdt_x2a_all15.F eomccsdt_x2a_all18.F eomccsdt_x2a_all3.F eomccsdt_x2a_all6.F eomccsdt_x2a_all9.F eomccsdt_x2_all12.F eomccsdt_x2_all15.F eomccsdt_x2_all18.F eomccsdt_x2_all3.F eomccsdt_x2_all6.F eomccsdt_x2_all9.F eomccsdt_x3a_all12.F eomccsdt_x3a_all15.F eomccsdt_x3a_all17.F eomccsdt_x3a_all3.F eomccsdt_x3a_all6.F eomccsdt_x3a_all9.F eomccsdt_x3_all12.F eomccsdt_x3_all15.F eomccsdt_x3_all17.F eomccsdt_x3_all3.F eomccsdt_x3_all6.F eomccsdt_x3_all9.F eomccsdt_y1_all12.F eomccsdt_y1_all15.F eomccsdt_y1_all18.F eomccsdt_y1_all20.F eomccsdt_y1_all3.F eomccsdt_y1_all6.F eomccsdt_y1_all9.F eomccsdt_y2_all12.F eomccsdt_y2_all15.F eomccsdt_y2_all18.F eomccsdt_y2_all21.F eomccsdt_y2_all24.F eomccsdt_y2_all25.F eomccsdt_y2_all3.F eomccsdt_y2_all6.F eomccsdt_y2_all9.F eomccsdt_y3.F converting eomccsdt_denominator.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_2_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_4_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_11_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_12_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_13_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_8_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_8_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_9_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_9_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x1a.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all18.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all18.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all17.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all17.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all18.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all20.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all18.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all21.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all24.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all25.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y3.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/eomccsdt' Making 32_to_64 in ccsd_alpha make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_alpha' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 alpha_1_1_1.F alpha_1_1_2.F alpha_1_1_3_1.F alpha_1_1_3_2.F alpha_1_1_3.F alpha_1_1_4_1.F alpha_1_1_4_2.F alpha_1_1_4.F alpha_1_1_5_1.F alpha_1_1_5.F alpha_1_1_6_1.F alpha_1_1_6.F alpha_1_1.F alpha_1_2_1.F alpha_1_2_2.F alpha_1_2.F alpha_1_3_1.F alpha_1_3.F alpha_1_4_1.F alpha_1_4.F alpha_1.F alpha_2_1_1.F alpha_2_1.F alpha_2_2_1_1.F alpha_2_2_1_2.F alpha_2_2_1.F alpha_2_2_2_1.F alpha_2_2_2_2.F alpha_2_2_2.F alpha_2_2_3_1.F alpha_2_2_3.F alpha_2_2_4_1.F alpha_2_2_4.F alpha_2_2.F alpha_2_3_1_1.F alpha_2_3_1_2.F alpha_2_3_1_3_1.F alpha_2_3_1_3.F alpha_2_3_1_4_1.F alpha_2_3_1_4.F alpha_2_3_1.F alpha_2_3_2_1.F alpha_2_3_2_2.F alpha_2_3_2_3_1.F alpha_2_3_2_3.F alpha_2_3_2_4_1.F alpha_2_3_2_4.F alpha_2_3_2.F alpha_2_3_3_1.F alpha_2_3_3.F alpha_2_3_4_1.F alpha_2_3_4.F alpha_2_3_5_1.F alpha_2_3_5.F alpha_2_3_6_1.F alpha_2_3_6.F alpha_2_3_7_1.F alpha_2_3_7.F alpha_2_3_8_1.F alpha_2_3_8.F alpha_2_3_9_1_1.F alpha_2_3_9_1.F alpha_2_3_9_2_1.F alpha_2_3_9_2.F alpha_2_3_9.F alpha_2_3.F alpha_2_4_1_1.F alpha_2_4_1.F alpha_2_4.F alpha_2_5_10_1_1.F alpha_2_5_10_1.F alpha_2_5_10_2_1.F alpha_2_5_10_2.F alpha_2_5_10_3_1.F alpha_2_5_10_3.F alpha_2_5_10_4_1.F alpha_2_5_10_4.F alpha_2_5_10_5_1.F alpha_2_5_10_5.F alpha_2_5_10_6_1.F alpha_2_5_10_6.F alpha_2_5_10_7_1.F alpha_2_5_10_7.F alpha_2_5_10_8_1_1.F alpha_2_5_10_8_1.F alpha_2_5_10_8.F alpha_2_5_10.F alpha_2_5_11_1_1.F alpha_2_5_11_1.F alpha_2_5_1_1.F alpha_2_5_11.F alpha_2_5_12_1_1.F alpha_2_5_12_1.F alpha_2_5_1_2.F alpha_2_5_12.F alpha_2_5_13_1_1.F alpha_2_5_1_3_1.F alpha_2_5_13_1.F alpha_2_5_13_2_1.F alpha_2_5_13_2.F alpha_2_5_1_3.F alpha_2_5_13.F alpha_2_5_14_1_1.F alpha_2_5_14_1.F alpha_2_5_14_2_1.F alpha_2_5_14_2.F alpha_2_5_14.F alpha_2_5_1.F alpha_2_5_2_1.F alpha_2_5_2.F alpha_2_5_3_1.F alpha_2_5_3_2.F alpha_2_5_3.F alpha_2_5_4_1.F alpha_2_5_4_2_1.F alpha_2_5_4_2.F alpha_2_5_4.F alpha_2_5_5_1.F alpha_2_5_5_2.F alpha_2_5_5.F alpha_2_5_6_1.F alpha_2_5_6.F alpha_2_5_7_1.F alpha_2_5_7.F alpha_2_5_8_1.F alpha_2_5_8.F alpha_2_5_9_1.F alpha_2_5_9.F alpha_2_5.F alpha_2_6_1_1.F alpha_2_6_1.F alpha_2_6.F alpha_2_7_1_1.F alpha_2_7_1_2_1.F alpha_2_7_1_2.F alpha_2_7_1.F alpha_2_7_2_1.F alpha_2_7_2.F alpha_2_7_3_1.F alpha_2_7_3.F alpha_2_7_4_1.F alpha_2_7_4_2_1.F alpha_2_7_4_2.F alpha_2_7_4.F alpha_2_7_5_1.F alpha_2_7_5.F alpha_2_7_6_1.F alpha_2_7_6.F alpha_2_7_7_1_1.F alpha_2_7_7_1.F alpha_2_7_7.F alpha_2_7.F alpha_2_8_1_1.F alpha_2_8_1.F alpha_2_8_2_1.F alpha_2_8_2.F alpha_2_8_3_1.F alpha_2_8_3.F alpha_2_8_4_1_1.F alpha_2_8_4_1_2_1.F alpha_2_8_4_1_2.F alpha_2_8_4_1.F alpha_2_8_4_2_1.F alpha_2_8_4_2.F alpha_2_8_4_3_1.F alpha_2_8_4_3_2_1.F alpha_2_8_4_3_2.F alpha_2_8_4_3.F alpha_2_8_4_4_1.F alpha_2_8_4_4.F alpha_2_8_4_5_1_1.F alpha_2_8_4_5_1.F alpha_2_8_4_5.F alpha_2_8_4.F alpha_2_8_5_1_1.F alpha_2_8_5_1.F alpha_2_8_5_2_1.F alpha_2_8_5_2.F alpha_2_8_5.F alpha_2_8_6_1_1.F alpha_2_8_6_1.F alpha_2_8_6_2_1.F alpha_2_8_6_2.F alpha_2_8_6_3_1.F alpha_2_8_6_3.F alpha_2_8_6_4_1.F alpha_2_8_6_4.F alpha_2_8_6.F alpha_2_8_7_1_1.F alpha_2_8_7_1.F alpha_2_8_7.F alpha_2_8_8_1_1.F alpha_2_8_8_1.F alpha_2_8_8.F alpha_2_8.F alpha_2.F dip_r_1_1.F dip_r_1_2.F dip_r_1.F dip_r_2.F dip_r.F converting alpha_1_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_3_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_3.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_4_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_4.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_5.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_6.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_3.F to 32-bit integers for BLAS/LAPACK converting alpha_1_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_4.F to 32-bit integers for BLAS/LAPACK converting alpha_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_8_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_11_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_11_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_11.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_12_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_12_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_12.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_3_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_4_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_4_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_5_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_9_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_9.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_6_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_1_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_4_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_4_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_7_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_3_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_5_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_7_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_8_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2.F to 32-bit integers for BLAS/LAPACK converting dip_r_1_1.F to 32-bit integers for BLAS/LAPACK converting dip_r_1_2.F to 32-bit integers for BLAS/LAPACK converting dip_r_1.F to 32-bit integers for BLAS/LAPACK converting dip_r_2.F to 32-bit integers for BLAS/LAPACK converting dip_r.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_alpha' Making 32_to_64 in ccsd_beta make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_beta' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 beta_1_all.F beta_2_all.F beta_3_all.F beta_4_all.F beta_1_3_3_1_1.F beta_1_4_1_2_1.F beta_1_3_1_4_1.F beta_3_7_5_1_1.F beta_3_1_3_1.F beta_3_2_1_2.F beta_1_4_2_2.F beta_1_3_4_1.F beta_1_4_1_4.F beta_1_3_1_7.F beta_3_7_2_1.F beta_3_2_9_2.F beta_3_3_1.F beta_4_1_2.F beta_3_2_3.F beta_3_4_11_1.F beta_3_4_10_3.F beta_1_4_5.F beta_1_3_7.F beta_1_4_1_1_2_1.F beta_4_3.F beta_3_5.F beta_1_4_2_1_1.F beta_1_4_6_3_1.F beta_3_7_4_3_1.F beta_3_2_2_1.F beta_1_4_3_1.F beta_3_2_1_3.F beta_3_4_10_1_1.F beta_1_4_1_5.F beta_1_3_1_8.F beta_3_6_4_1.F beta_3_4_7_1.F beta_4_2_1.F beta_3_2_4.F beta_1_4_6.F beta_3_4_10_4.F beta_1_3_8.F beta_4_4.F beta_3_6.F beta_3_7_4_5_1_1.F beta_1_1_1_1_1.F beta_1_4_1_3_1.F beta_1_3_1_5_1.F beta_3_6_1_2_1.F beta_3_6_7_1_1.F beta_3_7_5_2_1.F beta_3_7_4_3_2.F beta_3_3_1_1.F beta_3_2_2_2.F beta_3_1_4_1.F beta_3_2_1_4.F beta_1_3_5_1.F beta_1_4_3_2.F beta_3_7_3_1.F beta_3_6_4_2.F beta_3_4_1.F beta_3_4_12_1.F beta_3_2_5.F beta_3_4_10_5.F beta_1_4_6_1_1_1.F beta_3_7.F beta_1_3_4_1_1.F beta_1_4_2_2_1.F beta_1_4_1_3_2.F beta_3_4_4_2_1.F beta_3_7_6_1_1.F beta_3_7_4_4_1.F beta_3_2_3_1.F beta_3_4_10_2_1.F beta_3_2_2_3.F beta_1_4_4_1.F beta_1_4_3_3.F beta_3_6_5_1.F beta_3_4_8_1.F beta_4_3_1.F beta_3_4_2.F beta_3_2_6.F beta_3_4_10_6.F beta_1_1_1_2_1.F beta_1_4_3_1_1.F beta_3_2_1_3_1.F beta_1_4_1_4_1.F beta_1_3_1_6_1.F beta_1_1_1_1.F beta_3_4_11_1_1.F beta_1_3_6_1.F beta_3_2_2_4.F beta_1_4_3_4.F beta_3_7_4_1.F beta_4_3_2.F beta_3_5_1.F beta_3_4_3.F beta_3_4_13_1.F beta_3_2_7.F beta_3_4_10_7.F beta_1_1_2_1_1.F beta_3_7_6_2_1.F beta_3_7_4_5_1.F beta_1_1_1_2.F beta_3_4_1_1.F beta_3_2_4_1.F beta_1_4_5_1.F beta_3_4_10_3_1.F beta_1_3_6_2.F beta_3_7_4_2.F beta_3_6_6_1.F beta_3_4_9_1.F beta_4_4_1.F beta_4_3_3.F beta_3_4_4.F beta_3_4_13_2.F beta_3_2_8.F beta_3_4_10_8.F beta_1_4_6_2_1_1.F beta_1_3_8_1_1_1.F beta_1_2_1_1_1.F beta_1_4_3_2_1.F beta_1_3_5_1_1.F beta_3_2_1_4_1.F beta_1_4_1_5_1.F beta_1_3_1_7_1.F beta_3_7_7_1_1.F beta_1_1_2_1.F beta_3_4_1_2.F beta_1_3_7_1.F beta_3_7_5_1.F beta_3_7_4_3.F beta_1_1_1.F beta_3_6_1.F beta_4_3_4.F beta_3_4_14_1.F beta_3_4_5.F beta_3_2_9.F beta_1_4_1_3_2_1.F beta_1_1_2_2_1.F beta_1_4_4_1_1.F beta_3_2_2_3_1.F beta_3_7_6_3_1.F beta_1_2_1_1.F beta_1_1_2_2.F beta_3_4_2_1.F beta_3_2_5_1.F beta_3_4_12_1_1.F beta_3_4_1_3.F beta_1_4_6_1.F beta_3_4_10_4_1.F beta_1_3_7_2.F beta_3_7_5_2.F beta_3_6_7_1.F beta_3_7_4_4.F beta_1_1_2.F beta_3_6_2.F beta_4_3_5.F beta_3_4_14_2.F beta_3_4_6.F beta_3_7_4_1_2_1.F beta_1_1_3_1_1.F beta_1_4_3_3_1.F beta_1_3_1_8_1.F beta_3_2_9_1_1.F beta_2_1_1_1.F beta_1_1_3_1.F beta_4_3_2_1.F beta_3_5_1_1.F beta_1_4_6_2.F beta_1_3_8_1.F beta_3_7_6_1.F beta_3_7_4_5.F beta_1_2_1.F beta_1_1_3.F beta_3_7_1.F beta_3_6_3.F beta_3_4_7.F beta_1_1.F beta_1_4_6_3_1_1.F beta_1_2_2_1_1.F beta_1_3_6_1_1.F beta_3_2_2_4_1.F beta_3_4_10_8_1_1.F beta_3_7_8_1_1.F beta_3_7_6_4_1.F beta_2_1_1_2.F beta_1_2_2_1.F beta_1_1_3_2.F beta_4_3_2_2.F beta_3_4_3_1.F beta_3_2_6_1.F beta_3_4_10_5_1.F beta_1_4_6_3.F beta_3_7_6_2.F beta_2_1_1.F beta_1_2_2.F beta_3_7_2.F beta_3_6_4.F beta_3_4_8.F beta_1_2.F beta_1_3_1_1_1.F beta_1_1_3_2_1.F beta_1_4_5_1_1.F beta_1_4_3_4_1.F beta_3_2_9_2_1.F beta_2_1_2_1.F beta_1_3_1_1.F beta_4_3_3_1.F beta_3_4_3_2.F beta_3_4_13_1_1.F beta_3_7_7_1.F beta_3_7_6_3.F beta_1_3_1.F beta_2_1_2.F beta_1_2_3.F beta_3_7_3.F beta_3_6_5.F beta_3_4_9.F beta_2_1.F beta_1_3.F beta_1_4_1_5_1_1.F beta_1_3_6_2_1.F beta_3_6_4_2_1.F beta_2_1_2_2.F beta_1_3_1_2.F beta_1_2_3_1.F beta_3_6_1_1.F beta_3_4_4_1.F beta_4_3_3_2.F beta_3_2_7_1.F beta_3_4_10_6_1.F beta_3_7_6_4.F beta_2_1_3.F beta_1_3_2.F beta_3_7_4.F beta_3_6_6.F beta_1_4.F beta_3_4_10.F beta_1_3_1_2_1.F beta_1_2_3_1_1.F beta_3_4_1_3_1.F beta_1_3_7_1_1.F beta_3_1_1_1.F beta_1_3_2_1.F beta_2_1_3_1.F beta_1_3_1_3.F beta_4_3_4_1.F beta_3_6_1_2.F beta_3_4_13_2_1.F beta_3_4_4_2.F beta_3_7_8_1.F beta_3_1_1.F beta_1_4_1.F beta_1_3_3.F beta_2_1_4.F beta_3_7_5.F beta_3_6_7.F beta_3_1.F beta_3_4_11.F beta_1_3_2_1_1.F beta_1_4_6_1_1.F beta_3_7_4_1_1.F beta_1_4_1_1.F beta_3_1_1_2.F beta_1_3_1_4.F beta_3_6_2_1.F beta_3_4_14_1_1.F beta_3_4_5_1.F beta_3_2_8_1.F beta_3_4_10_7_1.F beta_3_1_2.F beta_1_4_2.F beta_1_3_4.F beta_3_7_6.F beta_3_2.F beta_3_4_12.F beta_3_7_4_3_2_1.F beta_1_4_1_1_1.F beta_1_3_1_3_1.F beta_1_3_7_2_1.F beta_3_7_4_1_2.F beta_3_1_2_1.F beta_1_4_1_2.F beta_1_3_3_1.F beta_2_1_4_1.F beta_1_3_1_5.F beta_3_7_1_1.F beta_4_3_5_1.F beta_3_4_5_2.F beta_3_2_1.F beta_3_1_3.F beta_1_4_3.F beta_3_4_10_1.F beta_1_3_5.F beta_3_7_7.F beta_4_1.F beta_3_3.F beta_3_4_13.F beta_1_3_1_8_1_1.F beta_1_4_1_1_2.F beta_1_4_6_2_1.F beta_1_3_8_1_1.F beta_3_7_4_2_1.F beta_3_2_1_1.F beta_1_4_2_1.F beta_3_1_2_2.F beta_1_4_1_3.F beta_1_3_1_6.F beta_3_6_3_1.F beta_3_4_14_2_1.F beta_3_4_6_1.F beta_3_2_9_1.F beta_3_4_10_8_1.F beta_4_1_1.F beta_3_2_2.F beta_3_1_4.F beta_1_4_4.F beta_3_4_10_2.F beta_1_3_6.F beta_3_7_8.F beta_4_2.F beta_3_4.F beta_3_4_14.F converting beta_1_all.F to 32-bit integers for BLAS/LAPACK converting beta_2_all.F to 32-bit integers for BLAS/LAPACK converting beta_3_all.F to 32-bit integers for BLAS/LAPACK converting beta_4_all.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_7.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_11_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_8.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_8.F to 32-bit integers for BLAS/LAPACK converting beta_4_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_7_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_12_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_6.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_11_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_7.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_7.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_9_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_8.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_8.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_8_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_7_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_12_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_2.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_7.F to 32-bit integers for BLAS/LAPACK converting beta_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_8_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_8_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_2.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_8.F to 32-bit integers for BLAS/LAPACK converting beta_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_9.F to 32-bit integers for BLAS/LAPACK converting beta_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_4.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_6.F to 32-bit integers for BLAS/LAPACK converting beta_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_3.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_7.F to 32-bit integers for BLAS/LAPACK converting beta_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_11.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_12.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_5_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_7.F to 32-bit integers for BLAS/LAPACK converting beta_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_8_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_8_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_8.F to 32-bit integers for BLAS/LAPACK converting beta_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_beta' Making 32_to_64 in ccsd_yr make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_yr' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 ccsd_y_o1.F ccsd_y_o2.F ccsd_yr1.F ccsd_yr2.F ccsd_y_tr1.F ccsd_y_tr2.F alpha_2_yr.F ccsd_lr_d1_hh.F ccsd_lr_d1_ph.F ccsd_lr_d1_hp.F ccsd_lr_d1_pp.F converting ccsd_y_o1.F to 32-bit integers for BLAS/LAPACK converting ccsd_y_o2.F to 32-bit integers for BLAS/LAPACK converting ccsd_yr1.F to 32-bit integers for BLAS/LAPACK converting ccsd_yr2.F to 32-bit integers for BLAS/LAPACK converting ccsd_y_tr1.F to 32-bit integers for BLAS/LAPACK converting ccsd_y_tr2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_yr.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_d1_hh.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_d1_ph.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_d1_hp.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_d1_pp.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/ccsd_yr' Making 32_to_64 in response make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/response' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 ccsd_o1.F ccsd_o2.F eomccsd_o1.F eomccsd_o2.F ccsdt_o1.F ccsdt_o2.F ccsdt_o3.F ccsdtq_o1.F ccsdtq_o2.F ccsdtq_o3.F ccsdtq_o4.F converting ccsd_o1.F to 32-bit integers for BLAS/LAPACK converting ccsd_o2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_o1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_o2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_o1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_o2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_o3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o4.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/response' Making 32_to_64 in mrcc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc' Making 32_to_64 in include make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/include' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/include' Making 32_to_64 in ccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 mr_ccsd_e.F mr_ccsd_t1.F mr_ccsd_t2.F mr_ccsd_dcl.F T2_C2_1.F T2_C2.F T2_pg_C2_1.F T2_pg_C2.F converting mr_ccsd_e.F to 32-bit integers for BLAS/LAPACK converting mr_ccsd_t1.F to 32-bit integers for BLAS/LAPACK converting mr_ccsd_t2.F to 32-bit integers for BLAS/LAPACK converting mr_ccsd_dcl.F to 32-bit integers for BLAS/LAPACK converting T2_C2_1.F to 32-bit integers for BLAS/LAPACK converting T2_C2.F to 32-bit integers for BLAS/LAPACK converting T2_pg_C2_1.F to 32-bit integers for BLAS/LAPACK converting T2_pg_C2.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd' Making 32_to_64 in ccsd_sub make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd_sub' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 ccsd_st1.F ccsd_st2.F ccsd_se.F ccsd_dcl_sub.F converting ccsd_st1.F to 32-bit integers for BLAS/LAPACK converting ccsd_st2.F to 32-bit integers for BLAS/LAPACK converting ccsd_se.F to 32-bit integers for BLAS/LAPACK converting ccsd_dcl_sub.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd_sub' Making 32_to_64 in ccsd_t make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd_t' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 tce_mrcc_q3vnt1.F tce_mrcc_q3vnt2.F tce_mrcc_q3fnt2.F tce_mrcc_ccsdpt.F tce_mrcc_ccsdpt_subg.F tce_mrcc_q3vnt1_subg.F tce_mrcc_q3fnt2_subg.F converting tce_mrcc_q3vnt1.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_q3vnt2.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_q3fnt2.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_ccsdpt.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_ccsdpt_subg.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_q3vnt1_subg.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_q3fnt2_subg.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/ccsd_t' Making 32_to_64 in uss make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/uss' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 tce_uss_offdiagonal_1.F tce_uss_offdiagonal_2.F tce_uss_offdiagonal_3.F tce_uss_offdiagonal_4.F ccsd_r3.F ccsd_r4.F tce_uss_aux.F tce_uss_T1_R1.F tce_uss_T2_R2.F converting tce_uss_offdiagonal_1.F to 32-bit integers for BLAS/LAPACK converting tce_uss_offdiagonal_2.F to 32-bit integers for BLAS/LAPACK converting tce_uss_offdiagonal_3.F to 32-bit integers for BLAS/LAPACK converting tce_uss_offdiagonal_4.F to 32-bit integers for BLAS/LAPACK converting ccsd_r3.F to 32-bit integers for BLAS/LAPACK converting ccsd_r4.F to 32-bit integers for BLAS/LAPACK converting tce_uss_aux.F to 32-bit integers for BLAS/LAPACK converting tce_uss_T1_R1.F to 32-bit integers for BLAS/LAPACK converting tce_uss_T2_R2.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc/uss' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 tce_mrcc_energy.F tce_mrcc_readref.F tce_mrcc_calcexcit.F tce_mrcc_sortint.F tce_mrcc_tile.F tce_mrcc_macpy.F tce_mrcc_fillindexarray.F tce_mrcc_uhf.F create_mr_evl_sorted.F pgcreatefile.F tce_mrcc_mo2e.F tce_mrcc_ao2e.F tce_subnxtask.F tce_mrcc_sublock.F eaf_mrcc.F tce_t3ac_offset.F tce_t4ac_offset.F tce_mrcc_refs_sym.F tce_mrcc_force_orben.F tce_mrcc_diis_init.F tce_mrcc_heff.F tce_mrcc_diis.F tce_mrcc_jacobi_t1.F tce_mrcc_jacobi_t2.F tce_mrcc_gacp.F tce_mrcc_daxfile.F tce_mrcc_diis_tidy.F tce_jacobi_sub_t1.F tce_jacobi_sub_t2.F tce_mrcc_c1.F tce_mrcc_c1_offset.F tce_mrcc_c2.F tce_mrcc_c2_offset.F tce_mrcc_mul_1.F tce_mrcc_mul_2.F tce_mrcc_diis_save.F tce_mrcc_diis_new.F tce_mrcc_create_cas1.F new_ga4ind_N5uhf_mrcc_lm2.F converting tce_mrcc_energy.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_readref.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_calcexcit.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_sortint.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_tile.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_macpy.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_fillindexarray.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_uhf.F to 32-bit integers for BLAS/LAPACK converting create_mr_evl_sorted.F to 32-bit integers for BLAS/LAPACK converting pgcreatefile.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_mo2e.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_ao2e.F to 32-bit integers for BLAS/LAPACK converting tce_subnxtask.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_sublock.F to 32-bit integers for BLAS/LAPACK converting eaf_mrcc.F to 32-bit integers for BLAS/LAPACK Could not open file: tce_mrcc_sublock.F.292731 converting tce_t3ac_offset.F to 32-bit integers for BLAS/LAPACK converting tce_t4ac_offset.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_refs_sym.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_force_orben.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_diis_init.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_heff.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_diis.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_jacobi_t1.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_jacobi_t2.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_gacp.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_daxfile.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_diis_tidy.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_sub_t1.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_sub_t2.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_c1.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_c1_offset.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_c2.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_c2_offset.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_mul_1.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_mul_2.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_diis_save.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_diis_new.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_create_cas1.F to 32-bit integers for BLAS/LAPACK converting new_ga4ind_N5uhf_mrcc_lm2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce/mrcc' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 tce_mbpt2.F tce_residual_t1.F tce_residual_t2.F tce_residual_t3.F tce_residual_t4.F tce_residual_t3a.F tce_ao2e.F tce_mo2e.F tce_guess_t1.F tce_mod1.F tce_eom_xdiagon.F dscalfile.F tce_eom_ydiagon.F tce_ao1e.F tce_aod1.F tce_mo1e.F tce_mo2e_zones_4a_disk_ga.F tce_mo2e_zones_4a_disk_ga_chop.F tce_mo2e_zones_4a_disk_4s_new_patch.F tce_mo2e_zones_4a_disk_2s_new.F tce_mo2e_zones_4a_disk_4s_new_patch_m2.F tce_mo2e_2emet3.F tce_mo2e_2emet3_n5.F tce_mo2e_2emet4.F tce_mo2e_2emet4_n5.F tce_mo2e_disk_2eorb.F tce_mo2e_incore_2eorb.F tce_mo2e_incore_2eorb_split.F tce_mo2e_hybrid_2eorb_split.F tce_diagnose_t1.F ddotfile.F tce_ao2e_cholesky.F tce_energy.F ccsd_lr_alpha.F tensor_read_write.F tce_diis_act.F tce_mo2e_zones_4a_disk_ga_act.F tce_mo2e_zones_4a_disk_ga_chop_act.F ccsd_qr_beta.F daxpyfile.F tce_ao2e_cholesky_orb.F tce_ao2e_disk.F tce_ao2e_new.F tce_dgeev.F tce_mo2e_disk.F tce_mo2e_new.F tce_mo2e_zones_4a_disk_4s_new_patch_m3.F tce_mo2e_zones_4a_disk_ga_N5.F tce_mo2e_zones_4a_disk_ga_chop_N5.F tce_mod1_new.F new_ga4ind_N5.F new4ind_N5_osu.F tce_read_t.F converting tce_mbpt2.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t1.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t2.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t3.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t4.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t3a.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e.F to 32-bit integers for BLAS/LAPACK converting tce_guess_t1.F to 32-bit integers for BLAS/LAPACK converting tce_mod1.F to 32-bit integers for BLAS/LAPACK converting tce_eom_xdiagon.F to 32-bit integers for BLAS/LAPACK converting dscalfile.F to 32-bit integers for BLAS/LAPACK converting tce_eom_ydiagon.F to 32-bit integers for BLAS/LAPACK converting tce_ao1e.F to 32-bit integers for BLAS/LAPACK converting tce_aod1.F to 32-bit integers for BLAS/LAPACK converting tce_mo1e.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_chop.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_4s_new_patch.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_2s_new.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_4s_new_patch_m2.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_2emet3.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_2emet3_n5.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_2emet4.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_2emet4_n5.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_disk_2eorb.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_incore_2eorb.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_incore_2eorb_split.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_hybrid_2eorb_split.F to 32-bit integers for BLAS/LAPACK converting tce_diagnose_t1.F to 32-bit integers for BLAS/LAPACK converting ddotfile.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e_cholesky.F to 32-bit integers for BLAS/LAPACK converting tce_energy.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_alpha.F to 32-bit integers for BLAS/LAPACK converting tensor_read_write.F to 32-bit integers for BLAS/LAPACK converting tce_diis_act.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_act.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_chop_act.F to 32-bit integers for BLAS/LAPACK converting ccsd_qr_beta.F to 32-bit integers for BLAS/LAPACK converting daxpyfile.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e_cholesky_orb.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e_disk.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e_new.F to 32-bit integers for BLAS/LAPACK converting tce_dgeev.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_disk.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_new.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_4s_new_patch_m3.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_N5.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_chop_N5.F to 32-bit integers for BLAS/LAPACK converting tce_mod1_new.F to 32-bit integers for BLAS/LAPACK converting new_ga4ind_N5.F to 32-bit integers for BLAS/LAPACK converting new4ind_N5_osu.F to 32-bit integers for BLAS/LAPACK converting tce_read_t.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/tce' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/bq' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 bq_input.F converting bq_input.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/bq' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mm' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 mm_input.F mm_bond.F mm_bond_coords.F mm_data.F mm_geom.F mm_link.F mm_vdw.F mm_vdw_coords.F converting mm_input.F to 32-bit integers for BLAS/LAPACK converting mm_bond.F to 32-bit integers for BLAS/LAPACK converting mm_bond_coords.F to 32-bit integers for BLAS/LAPACK converting mm_data.F to 32-bit integers for BLAS/LAPACK converting mm_geom.F to 32-bit integers for BLAS/LAPACK converting mm_link.F to 32-bit integers for BLAS/LAPACK converting mm_vdw.F to 32-bit integers for BLAS/LAPACK converting mm_vdw_coords.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/mm' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cons' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 cons_data.F converting cons_data.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/cons' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/perfm' /build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/lib > dependencies 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/perfm' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dntmc' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 gibbs.F converting gibbs.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dntmc' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dangchang' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dangchang' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ccca' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/ccca' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dimqm' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 qmr_real.F dimqm_main.F CubicSpline.F dim_elfcon.F dim_elfder.F dim_tabcd.F qmr_complex.F qmr_seed_complex.F qmr_seed_real.F seeded_qmr_complex.F seeded_qmr_real.F seeded_qmr_real_augment.F converting qmr_real.F to 32-bit integers for BLAS/LAPACK converting dimqm_main.F to 32-bit integers for BLAS/LAPACK converting CubicSpline.F to 32-bit integers for BLAS/LAPACK converting dim_elfcon.F to 32-bit integers for BLAS/LAPACK converting dim_elfder.F to 32-bit integers for BLAS/LAPACK converting dim_tabcd.F to 32-bit integers for BLAS/LAPACK converting qmr_complex.F to 32-bit integers for BLAS/LAPACK converting qmr_seed_complex.F to 32-bit integers for BLAS/LAPACK converting qmr_seed_real.F to 32-bit integers for BLAS/LAPACK converting seeded_qmr_complex.F to 32-bit integers for BLAS/LAPACK converting seeded_qmr_real.F to 32-bit integers for BLAS/LAPACK converting seeded_qmr_real_augment.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/dimqm' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fcidump' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/fcidump' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/gwmol' /build/reproducible-path/nwchem-7.2.2/build-openmpi/src/config/32_to_64 gw_init.F gw_vxc.F gw_ri_init.F gw_invdiag.F ga_chol_inv_seq.F gw_tools.F gw_minres.F cs_minres_qlp.F gw_cdgw.F gw_cdgw_buildiw.F gw_cdgw_buildrn_minres.F gw_cdgw_buildpi.F gw_cdgw_buildrn_graph.F gw_analytic.F gw_analytic_rpa.F converting gw_init.F to 32-bit integers for BLAS/LAPACK converting gw_vxc.F to 32-bit integers for BLAS/LAPACK converting gw_ri_init.F to 32-bit integers for BLAS/LAPACK converting gw_invdiag.F to 32-bit integers for BLAS/LAPACK converting ga_chol_inv_seq.F to 32-bit integers for BLAS/LAPACK converting gw_tools.F to 32-bit integers for BLAS/LAPACK converting gw_minres.F to 32-bit integers for BLAS/LAPACK converting cs_minres_qlp.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw_buildiw.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw_buildrn_minres.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw_buildpi.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw_buildrn_graph.F to 32-bit integers for BLAS/LAPACK converting gw_analytic.F to 32-bit integers for BLAS/LAPACK converting gw_analytic_rpa.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/gwmol' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:300: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:300: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:300: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:300: warning: ignoring old recipe for target '32_to_64' No blas conversion done here make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src/64to32blas' touch 32_to_64 make[2]: Leaving directory '/build/reproducible-path/nwchem-7.2.2/build-openmpi/src' make[1]: Leaving directory '/build/reproducible-path/nwchem-7.2.2' debian/rules override_dh_auto_test make[1]: Entering directory '/build/reproducible-path/nwchem-7.2.2' dh_testdir for mpi_flavor in mpich openmpi; do \ export NWCHEM_TOP=/build/reproducible-path/nwchem-7.2.2/build-${mpi_flavor}; \ export NWCHEM_BASIS_LIBRARY=${NWCHEM_TOP}/src/basis/libraries/; \ export NWCHEM_NWPW_LIBRARY=${NWCHEM_TOP}/src/nwpw/libraryps/; \ export RUNTESTS=${NWCHEM_TOP}/QA/runtests.mpi.unix; \ export NWCHEM_EXECUTABLE=${NWCHEM_TOP}/bin/LINUX64/nwchem}; \ (cd /build/reproducible-path/nwchem-7.2.2/build-${mpi_flavor}/QA && if [ "" = "yes" ]; then \ ../debian/testsuite all; else ../debian/testsuite; fi); \ done Running tests/dft_he2+/dft_he2+ cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/qmmm_grad0/qmmm_grad0 cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/auh2o/auh2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/autosym/autosym cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/h2mp2/h2mp2 cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/h2o/h2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/hess_h2o/hess_h2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/prop_h2o/prop_h2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/geom_zmatrix/geom_zmatrix cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/rimp2_ne/rimp2_ne cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/small_intchk/small_intchk cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tagcheck/tagcheck cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/testtab/testtab cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/h2o_dk/h2o_dk cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/cosmo_h2o/cosmo_h2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/ch5n_nbo/ch5n_nbo cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/h2s_finite/h2s_finite cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/pyqa3/pyqa3 cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/startag/startag cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/esp/esp cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations ESP charges match Running tests/esp_uhf/esp_uhf cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations ESP charges match Running tests/dft_bsse/dft_bsse cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/dplot_dft/dplot_dft cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/dft_meta/dft_meta cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/dft_mpwb1khf/dft_mpwb1khf cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/prop_uhf_h2o/prop_uhf_h2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/et_zn_dimer/et_zn_dimer cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/vectors_rotate/vectors_rotate cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/sad_ch3hf/sad_ch3hf cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/band/band cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/pspw/pspw cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/pspw_stress/pspw_stress cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/mcscf_ch2/mcscf_ch2 cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/dft_li2freq/dft_li2freq cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/n2_ccsd/n2_ccsd cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tce_ccsd_t_h2o/tce_ccsd_t_h2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tddft_h2o/tddft_h2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/rt_tddft_dimer_charge/rt_tddft_dimer_charge cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tce_eaccsd_ozone/tce_eaccsd_ozone cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tce_ipccsd_f2/tce_ipccsd_f2 cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tce_hyperpolar_ccsd_small/tce_hyperpolar_ccsd_small cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/mp2_scs_n2/mp2_scs_n2 cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tddftgrad_n2_uks/tddftgrad_n2_uks cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tddftgrad_ch2o/tddftgrad_ch2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/water/water_md cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying nwout ...... skipped verifying test ....... completed Running tests/water/water_pme cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying nwout ...... skipped verifying test ....... completed Running tests/pspw_md/pspw_md cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/cosmo_h3co/cosmo_h3co cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK OK Running tests/dft_he2+/dft_he2+ cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/qmmm_grad0/qmmm_grad0 cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/auh2o/auh2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/autosym/autosym cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/h2mp2/h2mp2 cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/h2o/h2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/hess_h2o/hess_h2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/prop_h2o/prop_h2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/geom_zmatrix/geom_zmatrix cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/rimp2_ne/rimp2_ne cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/small_intchk/small_intchk cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tagcheck/tagcheck cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/testtab/testtab cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/h2o_dk/h2o_dk cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/cosmo_h2o/cosmo_h2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/ch5n_nbo/ch5n_nbo cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/h2s_finite/h2s_finite cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/pyqa3/pyqa3 cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/startag/startag cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/esp/esp cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations ESP charges match Running tests/esp_uhf/esp_uhf cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations ESP charges match Running tests/dft_bsse/dft_bsse cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/dplot_dft/dplot_dft cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/dft_meta/dft_meta cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/dft_mpwb1khf/dft_mpwb1khf cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/prop_uhf_h2o/prop_uhf_h2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/et_zn_dimer/et_zn_dimer cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/vectors_rotate/vectors_rotate cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/sad_ch3hf/sad_ch3hf cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/band/band cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/pspw/pspw cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/pspw_stress/pspw_stress cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/mcscf_ch2/mcscf_ch2 cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/dft_li2freq/dft_li2freq cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/n2_ccsd/n2_ccsd cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tce_ccsd_t_h2o/tce_ccsd_t_h2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tddft_h2o/tddft_h2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/rt_tddft_dimer_charge/rt_tddft_dimer_charge cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tce_eaccsd_ozone/tce_eaccsd_ozone cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tce_ipccsd_f2/tce_ipccsd_f2 cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tce_hyperpolar_ccsd_small/tce_hyperpolar_ccsd_small cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/mp2_scs_n2/mp2_scs_n2 cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tddftgrad_n2_uks/tddftgrad_n2_uks cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tddftgrad_ch2o/tddftgrad_ch2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/water/water_md cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying nwout ...... skipped verifying test ....... completed Running tests/water/water_pme cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying nwout ...... skipped verifying test ....... completed Running tests/pspw_md/pspw_md cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/cosmo_h3co/cosmo_h3co cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.2/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK OK make[1]: Leaving directory '/build/reproducible-path/nwchem-7.2.2' create-stamp debian/debhelper-build-stamp fakeroot debian/rules binary dh binary --with python3 dh_testroot dh_prep dh_installdirs dh_install dh_installdocs dh_installchangelogs dh_installexamples dh_installman dh_python3 E: dh_python3 dh_python3:197: no package to act on (python3-foo or one with ${python3:Depends} in Depends) dh_lintian dh_perl dh_link debian/rules execute_after_dh_link make[1]: Entering directory '/build/reproducible-path/nwchem-7.2.2' dh_link -pnwchem usr/bin/nwchem.openmpi usr/bin/nwchem make[1]: Leaving directory '/build/reproducible-path/nwchem-7.2.2' dh_strip_nondeterminism dh_compress dh_fixperms dh_missing dh_dwz -a dh_strip -a dh_makeshlibs -a dh_shlibdeps -a dh_installdeb debian/rules override_dh_gencontrol make[1]: Entering directory '/build/reproducible-path/nwchem-7.2.2' dh_gencontrol -- -Vnwchem:Depends="nwchem-openmpi | nwchem-mpich | nwchem-openmpi" make[1]: Leaving directory '/build/reproducible-path/nwchem-7.2.2' dh_md5sums dh_builddeb dpkg-deb: building package 'nwchem-mpich' in '../nwchem-mpich_7.2.2-2_arm64.deb'. dpkg-deb: building package 'nwchem-openmpi-dbgsym' in '../nwchem-openmpi-dbgsym_7.2.2-2_arm64.deb'. dpkg-deb: building package 'nwchem' in '../nwchem_7.2.2-2_all.deb'. dpkg-deb: building package 'nwchem-data' in '../nwchem-data_7.2.2-2_all.deb'. dpkg-deb: building package 'nwchem-openmpi' in '../nwchem-openmpi_7.2.2-2_arm64.deb'. dpkg-deb: building package 'nwchem-mpich-dbgsym' in '../nwchem-mpich-dbgsym_7.2.2-2_arm64.deb'. dpkg-genbuildinfo --build=binary -O../nwchem_7.2.2-2_arm64.buildinfo dpkg-genchanges --build=binary -O../nwchem_7.2.2-2_arm64.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: not including original source code in upload I: copying local configuration I: user script /srv/workspace/pbuilder/2383049/tmp/hooks/B01_cleanup starting I: user script /srv/workspace/pbuilder/2383049/tmp/hooks/B01_cleanup finished I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env I: removing directory /srv/workspace/pbuilder/2383049 and its subdirectories I: Current time: Mon Jun 2 14:02:33 +14 2025 I: pbuilder-time-stamp: 1748822553