I: pbuilder: network access will be disabled during build I: Current time: Tue Aug 20 20:35:00 +14 2024 I: pbuilder-time-stamp: 1724135700 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 [elkcode_9.6.8-1.dsc] I: copying [./elkcode_9.6.8.orig.tar.gz] I: copying [./elkcode_9.6.8-1.debian.tar.xz] I: Extracting source gpgv: Signature made Sun Jun 30 20:39:55 2024 gpgv: using RSA key 9CA877749FAB2E4FA96862ECDC686A27B43481B0 gpgv: Can't check signature: No public key dpkg-source: warning: cannot verify inline signature for ./elkcode_9.6.8-1.dsc: no acceptable signature found dpkg-source: info: extracting elkcode in elkcode-9.6.8 dpkg-source: info: unpacking elkcode_9.6.8.orig.tar.gz dpkg-source: info: unpacking elkcode_9.6.8-1.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying default_data_directory.patch dpkg-source: info: applying makeflags.patch dpkg-source: info: applying testsuite_quick.patch dpkg-source: info: applying makefile_clean.patch dpkg-source: info: applying ls_locale_for_reproducible_order.patch I: using fakeroot in build. I: Installing the build-deps I: user script /srv/workspace/pbuilder/2501843/tmp/hooks/D01_modify_environment starting debug: Running on ionos11-amd64. 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 Aug 20 06:35 /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/2501843/tmp/hooks/D01_modify_environment finished I: user script /srv/workspace/pbuilder/2501843/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]="x86_64-pc-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=amd64 DEBIAN_FRONTEND=noninteractive DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=20 ' DIRSTACK=() DISTRIBUTION=unstable EUID=0 FUNCNAME=([0]="Echo" [1]="main") GROUPS=() HOME=/root HOSTNAME=i-capture-the-hostname HOSTTYPE=x86_64 HOST_ARCH=amd64 IFS=' ' INVOCATION_ID=0d99dcaaad9d4d1c910d67080b59d492 LANG=C LANGUAGE=et_EE:et LC_ALL=C MACHTYPE=x86_64-pc-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=2501843 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.w0y7gHPI/pbuilderrc_FDGg --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.w0y7gHPI/b2 --logfile b2/build.log elkcode_9.6.8-1.dsc' SUDO_GID=111 SUDO_UID=106 SUDO_USER=jenkins TERM=unknown TZ=/usr/share/zoneinfo/Etc/GMT-14 UID=0 USER=root _='I: set' http_proxy=http://46.16.76.132:3128 I: uname -a Linux i-capture-the-hostname 6.1.0-23-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.99-1 (2024-07-15) x86_64 GNU/Linux I: ls -l /bin lrwxrwxrwx 1 root root 7 Aug 4 21:30 /bin -> usr/bin I: user script /srv/workspace/pbuilder/2501843/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: amd64 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), gfortran, libblas-dev, libfftw3-dev, liblapack-dev, libwannier90-dev, libxc-dev (>= 5.0.0-1), mpi-default-bin, mpi-default-dev, pkg-config, texlive-latex-extra dpkg-deb: building package 'pbuilder-satisfydepends-dummy' in '/tmp/satisfydepends-aptitude/pbuilder-satisfydepends-dummy.deb'. Selecting previously unselected package pbuilder-satisfydepends-dummy. (Reading database ... 19731 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 gfortran; however: Package gfortran is not installed. pbuilder-satisfydepends-dummy depends on libblas-dev; however: Package libblas-dev is not installed. pbuilder-satisfydepends-dummy depends on libfftw3-dev; however: Package libfftw3-dev is not installed. pbuilder-satisfydepends-dummy depends on liblapack-dev; however: Package liblapack-dev is not installed. pbuilder-satisfydepends-dummy depends on libwannier90-dev; however: Package libwannier90-dev is not installed. pbuilder-satisfydepends-dummy depends on libxc-dev (>= 5.0.0-1); however: Package libxc-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 pkg-config; however: Package pkg-config is not installed. pbuilder-satisfydepends-dummy depends on texlive-latex-extra; however: Package texlive-latex-extra 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} bsdextrautils{a} debhelper{a} dh-autoreconf{a} dh-strip-nondeterminism{a} dwz{a} file{a} fontconfig-config{a} fonts-dejavu-core{a} fonts-dejavu-mono{a} fonts-lmodern{a} gettext{a} gettext-base{a} gfortran{a} gfortran-14{a} gfortran-14-x86-64-linux-gnu{a} gfortran-x86-64-linux-gnu{a} groff-base{a} ibverbs-providers{a} intltool-debian{a} libamd-comgr2{a} libamdhip64-5{a} libapache-pom-java{a} libarchive-zip-perl{a} libblas-dev{a} libblas3{a} libbrotli1{a} libcairo2{a} libcbor0.10{a} libcom-err2{a} libcommons-logging-java{a} libcommons-parent-java{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} libfabric1{a} libfftw3-bin{a} libfftw3-dev{a} libfftw3-double3{a} libfftw3-long3{a} libfftw3-quad3{a} libfftw3-single3{a} libfido2-1{a} libfile-stripnondeterminism-perl{a} libfontbox-java{a} libfontconfig1{a} libfreetype6{a} libgfortran-14-dev{a} libgfortran5{a} libglib2.0-0t64{a} libgraphite2-3{a} libgssapi-krb5-2{a} libharfbuzz0b{a} libhsa-runtime64-1{a} libhsakmt1{a} libhwloc-dev{a} libhwloc-plugins{a} libhwloc15{a} libibmad5{a} libibumad3{a} libibverbs-dev{a} libibverbs1{a} libice6{a} libicu72{a} libjs-jquery{a} libjs-jquery-ui{a} libk5crypto3{a} libkeyutils1{a} libkpathsea6{a} libkrb5-3{a} libkrb5support0{a} liblapack-dev{a} liblapack3{a} libllvm17t64{a} libltdl-dev{a} libltdl7{a} libmagic-mgc{a} libmagic1t64{a} libmpfi0{a} libmunge2{a} libnl-3-200{a} libnl-3-dev{a} libnl-route-3-200{a} libnl-route-3-dev{a} libnsl2{a} libnuma-dev{a} libnuma1{a} libopenmpi-dev{a} libopenmpi3t64{a} libpaper-utils{a} libpaper1{a} libpciaccess0{a} libpdfbox-java{a} libpipeline1{a} libpixman-1-0{a} libpkgconf3{a} libpmix-dev{a} libpmix2t64{a} libpng16-16t64{a} libpotrace0{a} libpsm-infinipath1{a} libpsm2-2{a} libptexenc1{a} libpython3-stdlib{a} libpython3.12-minimal{a} libpython3.12-stdlib{a} librdmacm1t64{a} libreadline8t64{a} libsm6{a} libsynctex2{a} libteckit0{a} libtexlua53-5{a} libtirpc-common{a} libtirpc3t64{a} libtool{a} libuchardet0{a} libucx0{a} libwannier90-dev{a} libx11-6{a} libx11-data{a} libxau6{a} libxaw7{a} libxc-dev{a} libxc9{a} libxcb-render0{a} libxcb-shm0{a} libxcb1{a} libxdmcp6{a} libxext6{a} libxi6{a} libxml2{a} libxmu6{a} libxnvctrl0{a} libxpm4{a} libxrender1{a} libxt6t64{a} libz3-4{a} libzzip-0-13t64{a} m4{a} man-db{a} media-types{a} mpi-default-bin{a} mpi-default-dev{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} preview-latex-style{a} python3{a} python3-minimal{a} python3.12{a} python3.12-minimal{a} readline-common{a} sensible-utils{a} t1utils{a} tex-common{a} texlive-base{a} texlive-binaries{a} texlive-latex-base{a} texlive-latex-extra{a} texlive-latex-recommended{a} texlive-pictures{a} tzdata{a} ucf{a} x11-common{a} xdg-utils{a} zlib1g-dev{a} The following packages are RECOMMENDED but will NOT be installed: ca-certificates curl default-jre dvisvgm javascript-common krb5-locales libarchive-cpio-perl libcoarrays-openmpi-dev libfile-mimeinfo-perl libglib2.0-data libmail-sendmail-perl libnet-dbus-perl libspreadsheet-parseexcel-perl libx11-protocol-perl lmodern lynx ruby shared-mime-info texlive-fonts-recommended texlive-plain-generic tk wget x11-utils x11-xserver-utils xauth xdg-user-dirs 0 packages upgraded, 185 newly installed, 0 to remove and 0 not upgraded. Need to get 234 MB of archives. After unpacking 899 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian unstable/main amd64 libpython3.12-minimal amd64 3.12.5-1 [813 kB] Get: 2 http://deb.debian.org/debian unstable/main amd64 libexpat1 amd64 2.6.2-1 [103 kB] Get: 3 http://deb.debian.org/debian unstable/main amd64 python3.12-minimal amd64 3.12.5-1 [2166 kB] Get: 4 http://deb.debian.org/debian unstable/main amd64 python3-minimal amd64 3.12.5-1 [26.7 kB] Get: 5 http://deb.debian.org/debian unstable/main amd64 media-types all 10.1.0 [26.9 kB] Get: 6 http://deb.debian.org/debian unstable/main amd64 netbase all 6.4 [12.8 kB] Get: 7 http://deb.debian.org/debian unstable/main amd64 tzdata all 2024a-4 [255 kB] Get: 8 http://deb.debian.org/debian unstable/main amd64 libkrb5support0 amd64 1.21.3-3 [32.5 kB] Get: 9 http://deb.debian.org/debian unstable/main amd64 libcom-err2 amd64 1.47.1-1 [22.9 kB] Get: 10 http://deb.debian.org/debian unstable/main amd64 libk5crypto3 amd64 1.21.3-3 [79.9 kB] Get: 11 http://deb.debian.org/debian unstable/main amd64 libkeyutils1 amd64 1.6.3-3 [8952 B] Get: 12 http://deb.debian.org/debian unstable/main amd64 libkrb5-3 amd64 1.21.3-3 [324 kB] Get: 13 http://deb.debian.org/debian unstable/main amd64 libgssapi-krb5-2 amd64 1.21.3-3 [136 kB] Get: 14 http://deb.debian.org/debian unstable/main amd64 libtirpc-common all 1.3.4+ds-1.3 [10.9 kB] Get: 15 http://deb.debian.org/debian unstable/main amd64 libtirpc3t64 amd64 1.3.4+ds-1.3 [82.7 kB] Get: 16 http://deb.debian.org/debian unstable/main amd64 libnsl2 amd64 1.3.0-3+b2 [40.3 kB] Get: 17 http://deb.debian.org/debian unstable/main amd64 readline-common all 8.2-4 [69.3 kB] Get: 18 http://deb.debian.org/debian unstable/main amd64 libreadline8t64 amd64 8.2-4 [167 kB] Get: 19 http://deb.debian.org/debian unstable/main amd64 libpython3.12-stdlib amd64 3.12.5-1 [1982 kB] Get: 20 http://deb.debian.org/debian unstable/main amd64 python3.12 amd64 3.12.5-1 [666 kB] Get: 21 http://deb.debian.org/debian unstable/main amd64 libpython3-stdlib amd64 3.12.5-1 [9588 B] Get: 22 http://deb.debian.org/debian unstable/main amd64 python3 amd64 3.12.5-1 [27.6 kB] Get: 23 http://deb.debian.org/debian unstable/main amd64 sensible-utils all 0.0.24 [24.8 kB] Get: 24 http://deb.debian.org/debian unstable/main amd64 libmagic-mgc amd64 1:5.45-3 [314 kB] Get: 25 http://deb.debian.org/debian unstable/main amd64 libmagic1t64 amd64 1:5.45-3 [105 kB] Get: 26 http://deb.debian.org/debian unstable/main amd64 file amd64 1:5.45-3 [42.9 kB] Get: 27 http://deb.debian.org/debian unstable/main amd64 gettext-base amd64 0.22.5-2 [200 kB] Get: 28 http://deb.debian.org/debian unstable/main amd64 libuchardet0 amd64 0.0.8-1+b1 [68.8 kB] Get: 29 http://deb.debian.org/debian unstable/main amd64 groff-base amd64 1.23.0-5 [1181 kB] Get: 30 http://deb.debian.org/debian unstable/main amd64 bsdextrautils amd64 2.40.2-7 [96.8 kB] Get: 31 http://deb.debian.org/debian unstable/main amd64 libpipeline1 amd64 1.5.7-2 [38.0 kB] Get: 32 http://deb.debian.org/debian unstable/main amd64 man-db amd64 2.12.1-3 [1414 kB] Get: 33 http://deb.debian.org/debian unstable/main amd64 libedit2 amd64 3.1-20240517-1 [93.3 kB] Get: 34 http://deb.debian.org/debian unstable/main amd64 libcbor0.10 amd64 0.10.2-1.2 [28.2 kB] Get: 35 http://deb.debian.org/debian unstable/main amd64 libfido2-1 amd64 1.15.0-1 [78.5 kB] Get: 36 http://deb.debian.org/debian unstable/main amd64 openssh-client amd64 1:9.8p1-3 [964 kB] Get: 37 http://deb.debian.org/debian unstable/main amd64 ucf all 3.0043+nmu1 [55.2 kB] Get: 38 http://deb.debian.org/debian unstable/main amd64 m4 amd64 1.4.19-4 [287 kB] Get: 39 http://deb.debian.org/debian unstable/main amd64 autoconf all 2.72-3 [493 kB] Get: 40 http://deb.debian.org/debian unstable/main amd64 autotools-dev all 20220109.1 [51.6 kB] Get: 41 http://deb.debian.org/debian unstable/main amd64 automake all 1:1.16.5-1.3 [823 kB] Get: 42 http://deb.debian.org/debian unstable/main amd64 autopoint all 0.22.5-2 [723 kB] Get: 43 http://deb.debian.org/debian unstable/main amd64 libdebhelper-perl all 13.19 [89.7 kB] Get: 44 http://deb.debian.org/debian unstable/main amd64 libtool all 2.4.7-7 [517 kB] Get: 45 http://deb.debian.org/debian unstable/main amd64 dh-autoreconf all 20 [17.1 kB] Get: 46 http://deb.debian.org/debian unstable/main amd64 libarchive-zip-perl all 1.68-1 [104 kB] Get: 47 http://deb.debian.org/debian unstable/main amd64 libfile-stripnondeterminism-perl all 1.14.0-1 [19.5 kB] Get: 48 http://deb.debian.org/debian unstable/main amd64 dh-strip-nondeterminism all 1.14.0-1 [8448 B] Get: 49 http://deb.debian.org/debian unstable/main amd64 libelf1t64 amd64 0.191-2 [188 kB] Get: 50 http://deb.debian.org/debian unstable/main amd64 dwz amd64 0.15-1+b1 [110 kB] Get: 51 http://deb.debian.org/debian unstable/main amd64 libicu72 amd64 72.1-5 [9396 kB] Get: 52 http://deb.debian.org/debian unstable/main amd64 libxml2 amd64 2.12.7+dfsg-3+b1 [671 kB] Get: 53 http://deb.debian.org/debian unstable/main amd64 gettext amd64 0.22.5-2 [1601 kB] Get: 54 http://deb.debian.org/debian unstable/main amd64 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Get: 55 http://deb.debian.org/debian unstable/main amd64 po-debconf all 1.0.21+nmu1 [248 kB] Get: 56 http://deb.debian.org/debian unstable/main amd64 debhelper all 13.19 [916 kB] Get: 57 http://deb.debian.org/debian unstable/main amd64 fonts-dejavu-mono all 2.37-8 [489 kB] Get: 58 http://deb.debian.org/debian unstable/main amd64 fonts-dejavu-core all 2.37-8 [840 kB] Get: 59 http://deb.debian.org/debian unstable/main amd64 fontconfig-config amd64 2.15.0-1.1 [317 kB] Get: 60 http://deb.debian.org/debian unstable/main amd64 fonts-lmodern all 2.005-1 [4540 kB] Get: 61 http://deb.debian.org/debian unstable/main amd64 libgfortran5 amd64 14.2.0-3 [837 kB] Get: 62 http://deb.debian.org/debian unstable/main amd64 libgfortran-14-dev amd64 14.2.0-3 [880 kB] Get: 63 http://deb.debian.org/debian unstable/main amd64 gfortran-14-x86-64-linux-gnu amd64 14.2.0-3 [11.7 MB] Get: 64 http://deb.debian.org/debian unstable/main amd64 gfortran-14 amd64 14.2.0-3 [11.8 kB] Get: 65 http://deb.debian.org/debian unstable/main amd64 gfortran-x86-64-linux-gnu amd64 4:14.1.0-2 [1284 B] Get: 66 http://deb.debian.org/debian unstable/main amd64 gfortran amd64 4:14.1.0-2 [1436 B] Get: 67 http://deb.debian.org/debian unstable/main amd64 libnl-3-200 amd64 3.7.0-0.3 [59.0 kB] Get: 68 http://deb.debian.org/debian unstable/main amd64 libnl-route-3-200 amd64 3.7.0-0.3 [181 kB] Get: 69 http://deb.debian.org/debian unstable/main amd64 libibverbs1 amd64 52.0-2 [61.6 kB] Get: 70 http://deb.debian.org/debian unstable/main amd64 ibverbs-providers amd64 52.0-2 [343 kB] Get: 71 http://deb.debian.org/debian unstable/main amd64 libz3-4 amd64 4.8.12-3.1+b2 [7346 kB] Get: 72 http://deb.debian.org/debian unstable/main amd64 libllvm17t64 amd64 1:17.0.6-15 [23.6 MB] Get: 73 http://deb.debian.org/debian unstable/main amd64 libamd-comgr2 amd64 6.0+git20231212.4510c28+dfsg-3+b1 [13.0 MB] Get: 74 http://deb.debian.org/debian unstable/main amd64 libdrm-common all 2.4.122-1 [7992 B] Get: 75 http://deb.debian.org/debian unstable/main amd64 libdrm2 amd64 2.4.122-1 [38.7 kB] Get: 76 http://deb.debian.org/debian unstable/main amd64 libdrm-amdgpu1 amd64 2.4.122-1 [22.2 kB] Get: 77 http://deb.debian.org/debian unstable/main amd64 libnuma1 amd64 2.0.18-1 [21.9 kB] Get: 78 http://deb.debian.org/debian unstable/main amd64 libhsakmt1 amd64 5.7.0-1 [60.7 kB] Get: 79 http://deb.debian.org/debian unstable/main amd64 libhsa-runtime64-1 amd64 5.7.1-2 [504 kB] Get: 80 http://deb.debian.org/debian unstable/main amd64 libamdhip64-5 amd64 5.7.1-4 [8770 kB] Get: 81 http://deb.debian.org/debian unstable/main amd64 libapache-pom-java all 29-2 [5276 B] Get: 82 http://deb.debian.org/debian unstable/main amd64 libblas3 amd64 3.12.0-3 [148 kB] Get: 83 http://deb.debian.org/debian unstable/main amd64 libblas-dev amd64 3.12.0-3 [159 kB] Get: 84 http://deb.debian.org/debian unstable/main amd64 libbrotli1 amd64 1.1.0-2+b4 [300 kB] Get: 85 http://deb.debian.org/debian unstable/main amd64 libpng16-16t64 amd64 1.6.43-5 [278 kB] Get: 86 http://deb.debian.org/debian unstable/main amd64 libfreetype6 amd64 2.13.2+dfsg-1+b4 [439 kB] Get: 87 http://deb.debian.org/debian unstable/main amd64 libfontconfig1 amd64 2.15.0-1.1 [388 kB] Get: 88 http://deb.debian.org/debian unstable/main amd64 libpixman-1-0 amd64 0.42.2-1+b1 [556 kB] Get: 89 http://deb.debian.org/debian unstable/main amd64 libxau6 amd64 1:1.0.9-1+b1 [18.1 kB] Get: 90 http://deb.debian.org/debian unstable/main amd64 libxdmcp6 amd64 1:1.1.2-3+b1 [24.3 kB] Get: 91 http://deb.debian.org/debian unstable/main amd64 libxcb1 amd64 1.17.0-2 [144 kB] Get: 92 http://deb.debian.org/debian unstable/main amd64 libx11-data all 2:1.8.7-1 [328 kB] Get: 93 http://deb.debian.org/debian unstable/main amd64 libx11-6 amd64 2:1.8.7-1+b1 [799 kB] Get: 94 http://deb.debian.org/debian unstable/main amd64 libxcb-render0 amd64 1.17.0-2 [115 kB] Get: 95 http://deb.debian.org/debian unstable/main amd64 libxcb-shm0 amd64 1.17.0-2 [105 kB] Get: 96 http://deb.debian.org/debian unstable/main amd64 libxext6 amd64 2:1.3.4-1+b1 [52.9 kB] Get: 97 http://deb.debian.org/debian unstable/main amd64 libxrender1 amd64 1:0.9.10-1.1+b1 [27.9 kB] Get: 98 http://deb.debian.org/debian unstable/main amd64 libcairo2 amd64 1.18.0-3+b1 [531 kB] Get: 99 http://deb.debian.org/debian unstable/main amd64 libcommons-parent-java all 56-1 [10.8 kB] Get: 100 http://deb.debian.org/debian unstable/main amd64 libcommons-logging-java all 1.3.0-1 [68.6 kB] Get: 101 http://deb.debian.org/debian unstable/main amd64 libevent-2.1-7t64 amd64 2.1.12-stable-10 [181 kB] Get: 102 http://deb.debian.org/debian unstable/main amd64 libevent-core-2.1-7t64 amd64 2.1.12-stable-10 [131 kB] Get: 103 http://deb.debian.org/debian unstable/main amd64 libevent-extra-2.1-7t64 amd64 2.1.12-stable-10 [107 kB] Get: 104 http://deb.debian.org/debian unstable/main amd64 libevent-pthreads-2.1-7t64 amd64 2.1.12-stable-10 [53.9 kB] Get: 105 http://deb.debian.org/debian unstable/main amd64 libevent-openssl-2.1-7t64 amd64 2.1.12-stable-10 [60.8 kB] Get: 106 http://deb.debian.org/debian unstable/main amd64 libevent-dev amd64 2.1.12-stable-10 [305 kB] Get: 107 http://deb.debian.org/debian unstable/main amd64 libpsm-infinipath1 amd64 3.3+20.604758e7-6.3 [170 kB] Get: 108 http://deb.debian.org/debian unstable/main amd64 libpsm2-2 amd64 11.2.185-2.1 [181 kB] Get: 109 http://deb.debian.org/debian unstable/main amd64 librdmacm1t64 amd64 52.0-2 [70.2 kB] Get: 110 http://deb.debian.org/debian unstable/main amd64 libfabric1 amd64 1.17.0-3+b1 [628 kB] Get: 111 http://deb.debian.org/debian unstable/main amd64 libfftw3-double3 amd64 3.3.10-1+b3 [780 kB] Get: 112 http://deb.debian.org/debian unstable/main amd64 libfftw3-long3 amd64 3.3.10-1+b3 [344 kB] Get: 113 http://deb.debian.org/debian unstable/main amd64 libfftw3-quad3 amd64 3.3.10-1+b3 [607 kB] Get: 114 http://deb.debian.org/debian unstable/main amd64 libfftw3-single3 amd64 3.3.10-1+b3 [806 kB] Get: 115 http://deb.debian.org/debian unstable/main amd64 libfftw3-bin amd64 3.3.10-1+b3 [52.4 kB] Get: 116 http://deb.debian.org/debian unstable/main amd64 libfftw3-dev amd64 3.3.10-1+b3 [2124 kB] Get: 117 http://deb.debian.org/debian unstable/main amd64 libfontbox-java all 1:1.8.16-5 [211 kB] Get: 118 http://deb.debian.org/debian unstable/main amd64 libglib2.0-0t64 amd64 2.81.2-1 [1497 kB] Get: 119 http://deb.debian.org/debian unstable/main amd64 libgraphite2-3 amd64 1.3.14-2 [74.9 kB] Get: 120 http://deb.debian.org/debian unstable/main amd64 libharfbuzz0b amd64 9.0.0-1 [474 kB] Get: 121 http://deb.debian.org/debian unstable/main amd64 libhwloc15 amd64 2.11.0-2 [162 kB] Get: 122 http://deb.debian.org/debian unstable/main amd64 libnuma-dev amd64 2.0.18-1 [36.2 kB] Get: 123 http://deb.debian.org/debian unstable/main amd64 libltdl7 amd64 2.4.7-7+b1 [393 kB] Get: 124 http://deb.debian.org/debian unstable/main amd64 libltdl-dev amd64 2.4.7-7+b1 [164 kB] Get: 125 http://deb.debian.org/debian unstable/main amd64 libhwloc-dev amd64 2.11.0-2 [251 kB] Get: 126 http://deb.debian.org/debian unstable/main amd64 libpciaccess0 amd64 0.17-3+b1 [51.9 kB] Get: 127 http://deb.debian.org/debian unstable/main amd64 libxnvctrl0 amd64 535.171.04-1 [13.8 kB] Get: 128 http://deb.debian.org/debian unstable/main amd64 ocl-icd-libopencl1 amd64 2.3.2-1+b1 [40.3 kB] Get: 129 http://deb.debian.org/debian unstable/main amd64 libhwloc-plugins amd64 2.11.0-2 [17.9 kB] Get: 130 http://deb.debian.org/debian unstable/main amd64 libibumad3 amd64 52.0-2 [27.7 kB] Get: 131 http://deb.debian.org/debian unstable/main amd64 libibmad5 amd64 52.0-2 [43.3 kB] Get: 132 http://deb.debian.org/debian unstable/main amd64 libnl-3-dev amd64 3.7.0-0.3 [99.4 kB] Get: 133 http://deb.debian.org/debian unstable/main amd64 libnl-route-3-dev amd64 3.7.0-0.3 [199 kB] Get: 134 http://deb.debian.org/debian unstable/main amd64 libibverbs-dev amd64 52.0-2 [647 kB] Get: 135 http://deb.debian.org/debian unstable/main amd64 x11-common all 1:7.7+23.1 [216 kB] Get: 136 http://deb.debian.org/debian unstable/main amd64 libice6 amd64 2:1.0.10-1+b1 [56.7 kB] Get: 137 http://deb.debian.org/debian unstable/main amd64 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [326 kB] Get: 138 http://deb.debian.org/debian unstable/main amd64 libjs-jquery-ui all 1.13.2+dfsg-1 [250 kB] Get: 139 http://deb.debian.org/debian unstable/main amd64 libkpathsea6 amd64 2024.20240313.70630+ds-4 [157 kB] Get: 140 http://deb.debian.org/debian unstable/main amd64 liblapack3 amd64 3.12.0-3 [2407 kB] Get: 141 http://deb.debian.org/debian unstable/main amd64 liblapack-dev amd64 3.12.0-3 [4880 kB] Get: 142 http://deb.debian.org/debian unstable/main amd64 libmpfi0 amd64 1.5.4+ds-3 [35.1 kB] Get: 143 http://deb.debian.org/debian unstable/main amd64 libmunge2 amd64 0.5.15-4 [19.8 kB] Get: 144 http://deb.debian.org/debian unstable/main amd64 libpmix2t64 amd64 5.0.3-2 [658 kB] Get: 145 http://deb.debian.org/debian unstable/main amd64 libucx0 amd64 1.17.0+ds-3 [1130 kB] Get: 146 http://deb.debian.org/debian unstable/main amd64 libopenmpi3t64 amd64 4.1.6-13.3 [2426 kB] Get: 147 http://deb.debian.org/debian unstable/main amd64 openmpi-common all 4.1.6-13.3 [169 kB] Get: 148 http://deb.debian.org/debian unstable/main amd64 zlib1g-dev amd64 1:1.3.dfsg+really1.3.1-1 [919 kB] Get: 149 http://deb.debian.org/debian unstable/main amd64 libpmix-dev amd64 5.0.3-2 [3954 kB] Get: 150 http://deb.debian.org/debian unstable/main amd64 openmpi-bin amd64 4.1.6-13.3 [226 kB] Get: 151 http://deb.debian.org/debian unstable/main amd64 libopenmpi-dev amd64 4.1.6-13.3 [972 kB] Get: 152 http://deb.debian.org/debian unstable/main amd64 libpaper1 amd64 1.1.29+b1 [12.9 kB] Get: 153 http://deb.debian.org/debian unstable/main amd64 libpaper-utils amd64 1.1.29+b1 [9176 B] Get: 154 http://deb.debian.org/debian unstable/main amd64 libpdfbox-java all 1:1.8.16-5 [5527 kB] Get: 155 http://deb.debian.org/debian unstable/main amd64 libpkgconf3 amd64 1.8.1-3 [36.2 kB] Get: 156 http://deb.debian.org/debian unstable/main amd64 libpotrace0 amd64 1.16-2+b1 [25.2 kB] Get: 157 http://deb.debian.org/debian unstable/main amd64 libptexenc1 amd64 2024.20240313.70630+ds-4 [49.1 kB] Get: 158 http://deb.debian.org/debian unstable/main amd64 libsm6 amd64 2:1.2.3-1+b1 [33.6 kB] Get: 159 http://deb.debian.org/debian unstable/main amd64 libsynctex2 amd64 2024.20240313.70630+ds-4 [62.5 kB] Get: 160 http://deb.debian.org/debian unstable/main amd64 libteckit0 amd64 2.5.12+ds1-1 [339 kB] Get: 161 http://deb.debian.org/debian unstable/main amd64 libtexlua53-5 amd64 2024.20240313.70630+ds-4 [114 kB] Get: 162 http://deb.debian.org/debian unstable/main amd64 libwannier90-dev amd64 3.1.0+ds-8 [455 kB] Get: 163 http://deb.debian.org/debian unstable/main amd64 libxt6t64 amd64 1:1.2.1-1.2 [187 kB] Get: 164 http://deb.debian.org/debian unstable/main amd64 libxmu6 amd64 2:1.1.3-3+b2 [58.7 kB] Get: 165 http://deb.debian.org/debian unstable/main amd64 libxpm4 amd64 1:3.5.17-1+b1 [56.1 kB] Get: 166 http://deb.debian.org/debian unstable/main amd64 libxaw7 amd64 2:1.0.14-1+b2 [199 kB] Get: 167 http://deb.debian.org/debian unstable/main amd64 libxc9 amd64 5.2.3-1+b1 [3815 kB] Get: 168 http://deb.debian.org/debian unstable/main amd64 libxc-dev amd64 5.2.3-1+b1 [8165 kB] Get: 169 http://deb.debian.org/debian unstable/main amd64 libxi6 amd64 2:1.8.1-1 [79.0 kB] Get: 170 http://deb.debian.org/debian unstable/main amd64 libzzip-0-13t64 amd64 0.13.72+dfsg.1-1.3 [56.2 kB] Get: 171 http://deb.debian.org/debian unstable/main amd64 mpi-default-bin amd64 1.17 [2372 B] Get: 172 http://deb.debian.org/debian unstable/main amd64 mpi-default-dev amd64 1.17 [3148 B] Get: 173 http://deb.debian.org/debian unstable/main amd64 pkgconf-bin amd64 1.8.1-3 [29.9 kB] Get: 174 http://deb.debian.org/debian unstable/main amd64 pkgconf amd64 1.8.1-3 [26.1 kB] Get: 175 http://deb.debian.org/debian unstable/main amd64 pkg-config amd64 1.8.1-3 [13.9 kB] Get: 176 http://deb.debian.org/debian unstable/main amd64 tex-common all 6.18 [32.5 kB] Get: 177 http://deb.debian.org/debian unstable/main amd64 preview-latex-style all 13.2-1 [350 kB] Get: 178 http://deb.debian.org/debian unstable/main amd64 t1utils amd64 1.41-4 [62.1 kB] Get: 179 http://deb.debian.org/debian unstable/main amd64 texlive-binaries amd64 2024.20240313.70630+ds-4 [8493 kB] Get: 180 http://deb.debian.org/debian unstable/main amd64 xdg-utils all 1.1.3-4.1 [75.5 kB] Get: 181 http://deb.debian.org/debian unstable/main amd64 texlive-base all 2024.20240706-1 [22.7 MB] Get: 182 http://deb.debian.org/debian unstable/main amd64 texlive-latex-base all 2024.20240706-1 [1274 kB] Get: 183 http://deb.debian.org/debian unstable/main amd64 texlive-latex-recommended all 2024.20240706-1 [8847 kB] Get: 184 http://deb.debian.org/debian unstable/main amd64 texlive-pictures all 2024.20240706-1 [17.0 MB] Get: 185 http://deb.debian.org/debian unstable/main amd64 texlive-latex-extra all 2024.20240706-2 [20.0 MB] Fetched 234 MB in 12s (18.9 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libpython3.12-minimal:amd64. (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 ... 19731 files and directories currently installed.) Preparing to unpack .../libpython3.12-minimal_3.12.5-1_amd64.deb ... Unpacking libpython3.12-minimal:amd64 (3.12.5-1) ... Selecting previously unselected package libexpat1:amd64. Preparing to unpack .../libexpat1_2.6.2-1_amd64.deb ... Unpacking libexpat1:amd64 (2.6.2-1) ... Selecting previously unselected package python3.12-minimal. Preparing to unpack .../python3.12-minimal_3.12.5-1_amd64.deb ... Unpacking python3.12-minimal (3.12.5-1) ... Setting up libpython3.12-minimal:amd64 (3.12.5-1) ... Setting up libexpat1:amd64 (2.6.2-1) ... Setting up python3.12-minimal (3.12.5-1) ... 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 .../00-python3-minimal_3.12.5-1_amd64.deb ... Unpacking python3-minimal (3.12.5-1) ... Selecting previously unselected package media-types. Preparing to unpack .../01-media-types_10.1.0_all.deb ... Unpacking media-types (10.1.0) ... Selecting previously unselected package netbase. Preparing to unpack .../02-netbase_6.4_all.deb ... Unpacking netbase (6.4) ... Selecting previously unselected package tzdata. Preparing to unpack .../03-tzdata_2024a-4_all.deb ... Unpacking tzdata (2024a-4) ... Selecting previously unselected package libkrb5support0:amd64. Preparing to unpack .../04-libkrb5support0_1.21.3-3_amd64.deb ... Unpacking libkrb5support0:amd64 (1.21.3-3) ... Selecting previously unselected package libcom-err2:amd64. Preparing to unpack .../05-libcom-err2_1.47.1-1_amd64.deb ... Unpacking libcom-err2:amd64 (1.47.1-1) ... Selecting previously unselected package libk5crypto3:amd64. Preparing to unpack .../06-libk5crypto3_1.21.3-3_amd64.deb ... Unpacking libk5crypto3:amd64 (1.21.3-3) ... Selecting previously unselected package libkeyutils1:amd64. Preparing to unpack .../07-libkeyutils1_1.6.3-3_amd64.deb ... Unpacking libkeyutils1:amd64 (1.6.3-3) ... Selecting previously unselected package libkrb5-3:amd64. Preparing to unpack .../08-libkrb5-3_1.21.3-3_amd64.deb ... Unpacking libkrb5-3:amd64 (1.21.3-3) ... Selecting previously unselected package libgssapi-krb5-2:amd64. Preparing to unpack .../09-libgssapi-krb5-2_1.21.3-3_amd64.deb ... Unpacking libgssapi-krb5-2:amd64 (1.21.3-3) ... Selecting previously unselected package libtirpc-common. Preparing to unpack .../10-libtirpc-common_1.3.4+ds-1.3_all.deb ... Unpacking libtirpc-common (1.3.4+ds-1.3) ... Selecting previously unselected package libtirpc3t64:amd64. Preparing to unpack .../11-libtirpc3t64_1.3.4+ds-1.3_amd64.deb ... Adding 'diversion of /lib/x86_64-linux-gnu/libtirpc.so.3 to /lib/x86_64-linux-gnu/libtirpc.so.3.usr-is-merged by libtirpc3t64' Adding 'diversion of /lib/x86_64-linux-gnu/libtirpc.so.3.0.0 to /lib/x86_64-linux-gnu/libtirpc.so.3.0.0.usr-is-merged by libtirpc3t64' Unpacking libtirpc3t64:amd64 (1.3.4+ds-1.3) ... Selecting previously unselected package libnsl2:amd64. Preparing to unpack .../12-libnsl2_1.3.0-3+b2_amd64.deb ... Unpacking libnsl2:amd64 (1.3.0-3+b2) ... Selecting previously unselected package readline-common. Preparing to unpack .../13-readline-common_8.2-4_all.deb ... Unpacking readline-common (8.2-4) ... Selecting previously unselected package libreadline8t64:amd64. Preparing to unpack .../14-libreadline8t64_8.2-4_amd64.deb ... Adding 'diversion of /lib/x86_64-linux-gnu/libhistory.so.8 to /lib/x86_64-linux-gnu/libhistory.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/x86_64-linux-gnu/libhistory.so.8.2 to /lib/x86_64-linux-gnu/libhistory.so.8.2.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/x86_64-linux-gnu/libreadline.so.8 to /lib/x86_64-linux-gnu/libreadline.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/x86_64-linux-gnu/libreadline.so.8.2 to /lib/x86_64-linux-gnu/libreadline.so.8.2.usr-is-merged by libreadline8t64' Unpacking libreadline8t64:amd64 (8.2-4) ... Selecting previously unselected package libpython3.12-stdlib:amd64. Preparing to unpack .../15-libpython3.12-stdlib_3.12.5-1_amd64.deb ... Unpacking libpython3.12-stdlib:amd64 (3.12.5-1) ... Selecting previously unselected package python3.12. Preparing to unpack .../16-python3.12_3.12.5-1_amd64.deb ... Unpacking python3.12 (3.12.5-1) ... Selecting previously unselected package libpython3-stdlib:amd64. Preparing to unpack .../17-libpython3-stdlib_3.12.5-1_amd64.deb ... Unpacking libpython3-stdlib:amd64 (3.12.5-1) ... Setting up python3-minimal (3.12.5-1) ... 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 ... 21125 files and directories currently installed.) Preparing to unpack .../000-python3_3.12.5-1_amd64.deb ... Unpacking python3 (3.12.5-1) ... Selecting previously unselected package sensible-utils. Preparing to unpack .../001-sensible-utils_0.0.24_all.deb ... Unpacking sensible-utils (0.0.24) ... Selecting previously unselected package libmagic-mgc. Preparing to unpack .../002-libmagic-mgc_1%3a5.45-3_amd64.deb ... Unpacking libmagic-mgc (1:5.45-3) ... Selecting previously unselected package libmagic1t64:amd64. Preparing to unpack .../003-libmagic1t64_1%3a5.45-3_amd64.deb ... Unpacking libmagic1t64:amd64 (1:5.45-3) ... Selecting previously unselected package file. Preparing to unpack .../004-file_1%3a5.45-3_amd64.deb ... Unpacking file (1:5.45-3) ... Selecting previously unselected package gettext-base. Preparing to unpack .../005-gettext-base_0.22.5-2_amd64.deb ... Unpacking gettext-base (0.22.5-2) ... Selecting previously unselected package libuchardet0:amd64. Preparing to unpack .../006-libuchardet0_0.0.8-1+b1_amd64.deb ... Unpacking libuchardet0:amd64 (0.0.8-1+b1) ... Selecting previously unselected package groff-base. 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Setting up libcbor0.10:amd64 (0.10.2-1.2) ... Setting up libarchive-zip-perl (1.68-1) ... Setting up libtirpc-common (1.3.4+ds-1.3) ... Setting up libdebhelper-perl (13.19) ... Setting up libbrotli1:amd64 (1.1.0-2+b4) ... Setting up libfontbox-java (1:1.8.16-5) ... Setting up libedit2:amd64 (3.1-20240517-1) ... Setting up libmagic1t64:amd64 (1:5.45-3) ... Setting up x11-common (1:7.7+23.1) ... invoke-rc.d: could not determine current runlevel Setting up X socket directories... /tmp/.X11-unix /tmp/.ICE-unix. Setting up libibumad3:amd64 (52.0-2) ... Setting up libfftw3-long3:amd64 (3.3.10-1+b3) ... Setting up gettext-base (0.22.5-2) ... Setting up m4 (1.4.19-4) ... Setting up libevent-2.1-7t64:amd64 (2.1.12-stable-10) ... Setting up libxcb-shm0:amd64 (1.17.0-2) ... Setting up libibmad5:amd64 (52.0-2) ... Setting up libcom-err2:amd64 (1.47.1-1) ... Setting up file (1:5.45-3) ... Setting up libelf1t64:amd64 (0.191-2) ... Setting up libkrb5support0:amd64 (1.21.3-3) ... Setting up tzdata (2024a-4) ... Current default time zone: 'Etc/UTC' Local time is now: Tue Aug 20 06:38:51 UTC 2024. Universal Time is now: Tue Aug 20 06:38:51 UTC 2024. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up autotools-dev (20220109.1) ... Setting up libz3-4:amd64 (4.8.12-3.1+b2) ... Setting up libglib2.0-0t64:amd64 (2.81.2-1) ... No schema files found: doing nothing. Setting up libblas3:amd64 (3.12.0-3) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/blas/libblas.so.3 to provide /usr/lib/x86_64-linux-gnu/libblas.so.3 (libblas.so.3-x86_64-linux-gnu) in auto mode Setting up libpkgconf3:amd64 (1.8.1-3) ... Setting up libmunge2:amd64 (0.5.15-4) ... Setting up libzzip-0-13t64:amd64 (0.13.72+dfsg.1-1.3) ... Setting up libx11-data (2:1.8.7-1) ... Setting up libteckit0:amd64 (2.5.12+ds1-1) ... Setting up libapache-pom-java (29-2) ... Setting up libfftw3-quad3:amd64 (3.3.10-1+b3) ... Setting up t1utils (1.41-4) ... Setting up libtexlua53-5:amd64 (2024.20240313.70630+ds-4) ... Setting up fonts-dejavu-mono (2.37-8) ... Setting up libpng16-16t64:amd64 (1.6.43-5) ... Setting up libhwloc15:amd64 (2.11.0-2) ... Setting up autopoint (0.22.5-2) ... Setting up libmpfi0:amd64 (1.5.4+ds-3) ... Setting up fonts-dejavu-core (2.37-8) ... Setting up pkgconf-bin (1.8.1-3) ... Setting up libk5crypto3:amd64 (1.21.3-3) ... Setting up libltdl7:amd64 (2.4.7-7+b1) ... Setting up libfftw3-double3:amd64 (3.3.10-1+b3) ... Setting up libkpathsea6:amd64 (2024.20240313.70630+ds-4) ... Setting up libgfortran5:amd64 (14.2.0-3) ... Setting up autoconf (2.72-3) ... Setting up zlib1g-dev:amd64 (1:1.3.dfsg+really1.3.1-1) ... Setting up libnuma1:amd64 (2.0.18-1) ... Setting up dwz (0.15-1+b1) ... Setting up sensible-utils (0.0.24) ... Setting up ocl-icd-libopencl1:amd64 (2.3.2-1+b1) ... Setting up libuchardet0:amd64 (0.0.8-1+b1) ... Setting up libnl-3-200:amd64 (3.7.0-0.3) ... Setting up libpsm2-2 (11.2.185-2.1) ... Setting up openmpi-common (4.1.6-13.3) ... Setting up fonts-lmodern (2.005-1) ... Setting up libx11-6:amd64 (2:1.8.7-1+b1) ... Setting up netbase (6.4) ... Setting up libkrb5-3:amd64 (1.21.3-3) ... Setting up libevent-core-2.1-7t64:amd64 (2.1.12-stable-10) ... Setting up libpsm-infinipath1 (3.3+20.604758e7-6.3) ... update-alternatives: using /usr/lib/libpsm1/libpsm_infinipath.so.1.16 to provide /usr/lib/x86_64-linux-gnu/libpsm_infinipath.so.1 (libpsm_infinipath.so.1) in auto mode Setting up libjs-jquery (3.6.1+dfsg+~3.5.14-1) ... Setting up libfido2-1:amd64 (1.15.0-1) ... Setting up libwannier90-dev (3.1.0+ds-8) ... Setting up libdrm-common (2.4.122-1) ... Setting up readline-common (8.2-4) ... Setting up libxml2:amd64 (2.12.7+dfsg-3+b1) ... Setting up xdg-utils (1.1.3-4.1) ... update-alternatives: using /usr/bin/xdg-open to provide /usr/bin/open (open) in auto mode Setting up libblas-dev:amd64 (3.12.0-3) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/blas/libblas.so to provide /usr/lib/x86_64-linux-gnu/libblas.so (libblas.so-x86_64-linux-gnu) in auto mode Setting up libsynctex2:amd64 (2024.20240313.70630+ds-4) ... Setting up libpotrace0:amd64 (1.16-2+b1) ... Setting up libxc9:amd64 (5.2.3-1+b1) ... Setting up automake (1:1.16.5-1.3) ... update-alternatives: using /usr/bin/automake-1.16 to provide /usr/bin/automake (automake) in auto mode Setting up libgfortran-14-dev:amd64 (14.2.0-3) ... Setting up libfile-stripnondeterminism-perl (1.14.0-1) ... Setting up libice6:amd64 (2:1.0.10-1+b1) ... Setting up liblapack3:amd64 (3.12.0-3) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/x86_64-linux-gnu/liblapack.so.3 (liblapack.so.3-x86_64-linux-gnu) in auto mode Setting up gettext (0.22.5-2) ... Setting up libpdfbox-java (1:1.8.16-5) ... Setting up libxpm4:amd64 (1:3.5.17-1+b1) ... Setting up libxrender1:amd64 (1:0.9.10-1.1+b1) ... Setting up libtool (2.4.7-7) ... Setting up libfftw3-bin (3.3.10-1+b3) ... Setting up libevent-pthreads-2.1-7t64:amd64 (2.1.12-stable-10) ... Setting up fontconfig-config (2.15.0-1.1) ... Setting up libevent-openssl-2.1-7t64:amd64 (2.1.12-stable-10) ... Setting up libcommons-parent-java (56-1) ... Setting up libxc-dev (5.2.3-1+b1) ... Setting up libcommons-logging-java (1.3.0-1) ... Setting up libxext6:amd64 (2:1.3.4-1+b1) ... Setting up gfortran-14-x86-64-linux-gnu (14.2.0-3) ... Setting up pkgconf:amd64 (1.8.1-3) ... Setting up intltool-debian (0.35.0+20060710.6) ... Setting up libnuma-dev:amd64 (2.0.18-1) ... Setting up libnl-route-3-200:amd64 (3.7.0-0.3) ... Setting up libxnvctrl0:amd64 (535.171.04-1) ... Setting up dh-autoreconf (20) ... Setting up libltdl-dev:amd64 (2.4.7-7+b1) ... Setting up libjs-jquery-ui (1.13.2+dfsg-1) ... Setting up libptexenc1:amd64 (2024.20240313.70630+ds-4) ... Setting up libllvm17t64:amd64 (1:17.0.6-15) ... Setting up libfreetype6:amd64 (2.13.2+dfsg-1+b4) ... Setting up liblapack-dev:amd64 (3.12.0-3) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/lapack/liblapack.so to provide /usr/lib/x86_64-linux-gnu/liblapack.so (liblapack.so-x86_64-linux-gnu) in auto mode Setting up libgssapi-krb5-2:amd64 (1.21.3-3) ... Setting up pkg-config:amd64 (1.8.1-3) ... Setting up ucf (3.0043+nmu1) ... Setting up libevent-extra-2.1-7t64:amd64 (2.1.12-stable-10) ... Setting up libreadline8t64:amd64 (8.2-4) ... Setting up dh-strip-nondeterminism (1.14.0-1) ... Setting up libdrm2:amd64 (2.4.122-1) ... Setting up libnl-3-dev:amd64 (3.7.0-0.3) ... Setting up groff-base (1.23.0-5) ... Setting up libharfbuzz0b:amd64 (9.0.0-1) ... Setting up libhwloc-dev:amd64 (2.11.0-2) ... Setting up libamd-comgr2:amd64 (6.0+git20231212.4510c28+dfsg-3+b1) ... Setting up libfontconfig1:amd64 (2.15.0-1.1) ... Setting up gfortran-14 (14.2.0-3) ... Setting up libsm6:amd64 (2:1.2.3-1+b1) ... Setting up libfftw3-dev:amd64 (3.3.10-1+b3) ... Setting up libdrm-amdgpu1:amd64 (2.4.122-1) ... Setting up libpaper1:amd64 (1.1.29+b1) ... Creating config file /etc/papersize with new version Setting up libibverbs1:amd64 (52.0-2) ... Setting up libxi6:amd64 (2:1.8.1-1) ... Setting up libtirpc3t64:amd64 (1.3.4+ds-1.3) ... Setting up ibverbs-providers:amd64 (52.0-2) ... Setting up openssh-client (1:9.8p1-3) ... Setting up po-debconf (1.0.21+nmu1) ... Setting up libpaper-utils (1.1.29+b1) ... Setting up libhwloc-plugins:amd64 (2.11.0-2) ... Setting up man-db (2.12.1-3) ... Not building database; man-db/auto-update is not 'true'. Setting up gfortran-x86-64-linux-gnu (4:14.1.0-2) ... Setting up gfortran (4:14.1.0-2) ... 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 libcairo2:amd64 (1.18.0-3+b1) ... Setting up tex-common (6.18) ... update-language: texlive-base not installed and configured, doing nothing! Setting up libnl-route-3-dev:amd64 (3.7.0-0.3) ... Setting up libxt6t64:amd64 (1:1.2.1-1.2) ... Setting up libevent-dev (2.1.12-stable-10) ... Setting up libpmix2t64:amd64 (5.0.3-2) ... Setting up libnsl2:amd64 (1.3.0-3+b2) ... Setting up librdmacm1t64:amd64 (52.0-2) ... Setting up libpmix-dev:amd64 (5.0.3-2) ... Setting up libhsakmt1:amd64 (5.7.0-1) ... Setting up libfabric1:amd64 (1.17.0-3+b1) ... Setting up libxmu6:amd64 (2:1.1.3-3+b2) ... Setting up libpython3.12-stdlib:amd64 (3.12.5-1) ... Setting up preview-latex-style (13.2-1) ... Setting up python3.12 (3.12.5-1) ... Setting up debhelper (13.19) ... Setting up libxaw7:amd64 (2:1.0.14-1+b2) ... Setting up libibverbs-dev:amd64 (52.0-2) ... Setting up texlive-binaries (2024.20240313.70630+ds-4) ... update-alternatives: using /usr/bin/xdvi-xaw to provide /usr/bin/xdvi.bin (xdvi.bin) in auto mode update-alternatives: using /usr/bin/bibtex.original to provide /usr/bin/bibtex (bibtex) in auto mode Setting up libhsa-runtime64-1 (5.7.1-2) ... Setting up texlive-base (2024.20240706-1) ... tl-paper: setting paper size for dvips to a4: /var/lib/texmf/dvips/config/config-paper.ps tl-paper: setting paper size for dvipdfmx to a4: /var/lib/texmf/dvipdfmx/dvipdfmx-paper.cfg tl-paper: setting paper size for xdvi to a4: /var/lib/texmf/xdvi/XDvi-paper tl-paper: setting paper size for pdftex to a4: /var/lib/texmf/tex/generic/tex-ini-files/pdftexconfig.tex Setting up libpython3-stdlib:amd64 (3.12.5-1) ... Setting up python3 (3.12.5-1) ... Setting up libamdhip64-5 (5.7.1-4) ... Setting up texlive-latex-base (2024.20240706-1) ... Setting up texlive-latex-recommended (2024.20240706-1) ... Setting up texlive-pictures (2024.20240706-1) ... Setting up libucx0:amd64 (1.17.0+ds-3) ... Setting up texlive-latex-extra (2024.20240706-2) ... Setting up libopenmpi3t64:amd64 (4.1.6-13.3) ... Setting up openmpi-bin (4.1.6-13.3) ... 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 mpi-default-bin (1.17) ... Setting up libopenmpi-dev:amd64 (4.1.6-13.3) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/openmpi/include to provide /usr/include/x86_64-linux-gnu/mpi (mpi-x86_64-linux-gnu) in auto mode Setting up mpi-default-dev (1.17) ... Processing triggers for libc-bin (2.39-7) ... Processing triggers for tex-common (6.18) ... Running updmap-sys. This may take some time... done. Running mktexlsr /var/lib/texmf ... done. Building format(s) --all. This may take some time... done. 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 (1.36-1). 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. I: Building the package I: user script /srv/workspace/pbuilder/2501843/tmp/hooks/A99_set_merged_usr starting Not re-configuring usrmerge for unstable I: user script /srv/workspace/pbuilder/2501843/tmp/hooks/A99_set_merged_usr finished hostname: Name or service not known I: Running cd /build/reproducible-path/elkcode-9.6.8/ && 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 > ../elkcode_9.6.8-1_source.changes dpkg-buildpackage: info: source package elkcode dpkg-buildpackage: info: source version 9.6.8-1 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Michael Banck dpkg-source --before-build . dpkg-buildpackage: info: host architecture amd64 fakeroot debian/rules clean dh clean dh_auto_clean make -j20 clean make[1]: Entering directory '/build/reproducible-path/elkcode-9.6.8' cd src; make cleanall make[2]: Entering directory '/build/reproducible-path/elkcode-9.6.8/src' make clean make[3]: Entering directory '/build/reproducible-path/elkcode-9.6.8/src' rm -f *.o *.mod *~ *.a ifc* *.gcno gmon.out *.aux *.dvi *.log \ elk.pdf elk.lst *.tex *.toc *.out elk make[3]: Leaving directory '/build/reproducible-path/elkcode-9.6.8/src' make[2]: Leaving directory '/build/reproducible-path/elkcode-9.6.8/src' cd src/eos; make clean make[2]: Entering directory '/build/reproducible-path/elkcode-9.6.8/src/eos' rm -f *.o *.mod *~ fort.* ifc* *.gcno *.OUT gmon.out eos make[2]: Leaving directory '/build/reproducible-path/elkcode-9.6.8/src/eos' cd src/spacegroup; make clean make[2]: Entering directory '/build/reproducible-path/elkcode-9.6.8/src/spacegroup' rm -f *.o *.mod *~ fort.* ifc* *.gcno *.OUT *.xsf *.ascii gmon.out \ *.aux *.dvi *.log *.pdf *.tex *.toc *.out spacegroup make[2]: Leaving directory '/build/reproducible-path/elkcode-9.6.8/src/spacegroup' cd tests; rm -rf test-*/*.OUT test-*/RUNNING test-*/test.log rm -f *.o *.mod *~ fort.* ifc* *.gcno *.exe make[1]: Leaving directory '/build/reproducible-path/elkcode-9.6.8' dh_clean debian/rules build dh build dh_update_autotools_config dh_autoreconf dh_auto_configure debian/rules override_dh_auto_build make[1]: Entering directory '/build/reproducible-path/elkcode-9.6.8' dh_auto_build --no-parallel make -j1 "INSTALL=install --strip-program=true" make[2]: Entering directory '/build/reproducible-path/elkcode-9.6.8' cd src; make all make[3]: Entering directory '/build/reproducible-path/elkcode-9.6.8/src' mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modmain.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modmpi.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modramdisk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c libxcf90.f90 libxcf90.f90:3554:26: 3554 | subroutine c_to_f_string(c_string, f_string) | ^ Warning: 'c_to_f_string' defined but not used [-Wunused-function] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c libxcifc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modxcifc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modfxcifc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c moddftu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modrdm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modphonon.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modtest.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modrandom.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modpw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modvars.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modtddft.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modgw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modbog.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c moddelf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modomp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mkl_stub.f90 mkl_stub.f90:8:42: 8 | subroutine mkl_set_num_threads(num_threads) | 1 Warning: Unused dummy argument 'num_threads' at (1) [-Wunused-dummy-argument] mkl_stub.f90:13:54: 13 | integer function mkl_set_num_threads_local(num_threads) | 1 Warning: Unused dummy argument 'num_threads' at (1) [-Wunused-dummy-argument] mkl_stub.f90:19:34: 19 | subroutine mkl_set_dynamic(dynamic) | 1 Warning: Unused dummy argument 'dynamic' at (1) [-Wunused-dummy-argument] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mkl_init.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modw90.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfftifc_fftw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c cfftifc_fftw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c elk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c factn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c factr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c factn2.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mtm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3vo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gcd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c trimrfg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gencfun.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zpotcoul.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c cpotcoul.f90 cpotcoul.f90:96:17: 96 | cvclir(jg)=cvclir(jg)+z1*z2 | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotcoul.f90:99:17: 99 | cvclir(jg)=cvclir(jg)+t2*zlm(1) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotcoul.f90:106:13: 106 | cvclir(jg)=gclgp(ig)*cvclir(jg) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotcoul.f90:131:31: 131 | cvclmt(lm:i1:lmmaxi,ias)=cvclmt(lm:i1:lmmaxi,ias)+z1*rl(1:nri(is),l,is) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotcoul.f90:134:31: 134 | cvclmt(i0:i1:lmmaxo,ias)=cvclmt(i0:i1:lmmaxo,ias)+z1*rl(iro:nr(is),l,is) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotcoul.f90:143:31: 143 | cvclmt(i0:i1:lmmaxo,ias)=cvclmt(i0:i1:lmmaxo,ias)+z1*rl(iro:nr(is),l,is) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potcoul.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zftcf.f90 zftcf.f90:29:8: 29 | cfft(:)=cfir(:)*cfrc(:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] zftcf.f90:39:16: 39 | ylm(1:lmmaxo)=t0*ylmgp(1:lmmaxo,ig) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c elnes.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symdmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c axangsu2.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gradzvcln.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gentpmae.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfcmtwr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c cfcmtwr.f90 cfcmtwr.f90:19:16: 19 | cfmt(i:i+3)=(pi*wr(ir))*cfmt(i:i+3) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cfcmtwr.f90:26:16: 26 | cfmt(i:i+n)=(t1*wr(ir))*cfmt(i:i+n) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cfcmtwr.f90:33:14: 33 | cfmt(i:i+n)=(t1*wr(ir))*cfmt(i:i+n) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c projsbf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gradzf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c timesec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfmtftoc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ztorfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfmtctof.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnfvz.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c energynn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gaunt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potxcmt.f90 potxcmt.f90:33:50: 33 | real(8), allocatable :: mag(:,:),bxc(:,:),tau(:,:) | ^ Warning: 'tau.offset' may be used uninitialized [-Wmaybe-uninitialized] potxcmt.f90:33:50: Warning: 'tau.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] potxcmt.f90:33:41: 33 | real(8), allocatable :: mag(:,:),bxc(:,:),tau(:,:) | ^ Warning: 'bxc.offset' may be used uninitialized [-Wmaybe-uninitialized] potxcmt.f90:33:41: Warning: 'bxc.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] potxcmt.f90:33:41: Warning: 'bxc.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sdelta_mp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c stheta_mp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sdelta_fd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c stheta_fd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writelsj.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnzh.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gensmatk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gensfacgp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhomag.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wsplintp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c checkmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c reciplat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gradrf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gencfrm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mixadapt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zftrf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sbessel.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengclgq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genstress.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c force.f90 force.f90:151:52: 151 | t1=t1-t2*rfmtint(nr,nri,wrmt(:,is),grfmt(:,i)) | ^ Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] force.f90:84:23: 84 | real(8) fav(3),ca,t1,t2 | ^ note: 't2' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvbmatk.f90 genvbmatk.f90:183:10: 183 | wf21(i)=(v(i)+b(i))*wf11(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genvbmatk.f90:184:10: 184 | wf22(i)=(v(i)-b(i))*wf12(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genvbmatk.f90:167:10: 167 | wf21(i)=(v(i)+b3(i))*wf11(i)+cmplx(b1(i),-b2(i),8)*wf12(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genvbmatk.f90:168:10: 168 | wf22(i)=(v(i)-b3(i))*wf12(i)+cmplx(b1(i),b2(i),8)*wf11(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c forcek.f90 forcek.f90:149:78: 149 | call zgemv('N',nstfv,nstfv,zone,ffv,nstfv,evecsv(i,j),1,zzero,y,1) | ^ Warning: 'evecsv.offset' may be used uninitialized [-Wmaybe-uninitialized] forcek.f90:42:68: 42 | complex(8), allocatable :: apwalm(:,:,:,:),evecfv(:,:,:),evecsv(:,:) | ^ note: 'evecsv.offset' was declared here forcek.f90:149:78: 149 | call zgemv('N',nstfv,nstfv,zone,ffv,nstfv,evecsv(i,j),1,zzero,y,1) | ^ Warning: 'evecsv.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] forcek.f90:42:68: 42 | complex(8), allocatable :: apwalm(:,:,:,:),evecfv(:,:,:),evecsv(:,:) | ^ note: 'evecsv.dim[1].stride' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeepsinv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c olprad.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c polark.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfmtinp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hflocal.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mixbroyden.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c grad2rfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c clebgor.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfirctof.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c effmass.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sfacmag.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c polynm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c epsinv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfinpc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeiad.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genapwfr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengclq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c addbfsm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genylmv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c olpfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genexpmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfinp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sphcover.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sctovec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genppts.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnzg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fderiv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genpmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genexpmat.f90 genexpmat.f90:149:62: 149 | z1=z1+em(ist,jst)*conjg(evecsv2(k,i))*evecsv1(l,j) | ^ Warning: 'evecsv1.offset' may be used uninitialized [-Wmaybe-uninitialized] genexpmat.f90:26:39: 26 | complex(8), allocatable :: evecsv1(:,:),evecsv2(:,:) | ^ note: 'evecsv1.offset' was declared here genexpmat.f90:26:39: Warning: 'evecsv1.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeforces.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3cross.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c match.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genspchi0.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potefield.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhoinit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnsv.f90 eveqnsv.f90:97:21: 97 | wfmt0(1:npc,ist)=wfmt1(1:npc,ist) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] eveqnsv.f90:241:21: 241 | wfgp0(1:ngp,ist)=evecfv(1:ngp,ist) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] eveqnsv.f90:255:21: 255 | wfir2(1:ngtot)=bsir(1:ngtot,ndmag)*wfir1(1:ngtot) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] eveqnsv.f90:262:23: 262 | wfir2(1:ngtot)=cmplx(bsir(1:ngtot,1),-bsir(1:ngtot,2),8)*wfir1(1:ngtot) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] eveqnsv.f90:276:33: 276 | wfir1(igfft(igpig(igp)))=t1*wfgp0(igp,jst) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] eveqnsv.f90:279:21: 279 | wfir1(1:ngtot)=wfir1(1:ngtot)*cfunir(1:ngtot) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] eveqnsv.f90:26:10: 26 | real(8) a1,a2,a3,t1 | ^ Warning: 'a1' may be used uninitialized [-Wmaybe-uninitialized] eveqnsv.f90:26:13: 26 | real(8) a1,a2,a3,t1 | ^ Warning: 'a2' may be used uninitialized [-Wmaybe-uninitialized] eveqnsv.f90:82:16: 82 | do ias=1,natmtot | ^ Warning: 'a3' may be used uninitialized [-Wmaybe-uninitialized] eveqnsv.f90:26:16: 26 | real(8) a1,a2,a3,t1 | ^ note: 'a3' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c roteuler.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genrmesh.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c splint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wavefcr.f90 wavefcr.f90:84:28: 84 | if (lm1 > 0) wfcr(i1,1)=t0*c1 | 1 Warning: Possible change of value in conversion from REAL(8) to COMPLEX(4) at (1) [-Wconversion] wavefcr.f90:85:28: 85 | if (lm2 > 0) wfcr(i2,2)=t0*c2 | 1 Warning: Possible change of value in conversion from REAL(8) to COMPLEX(4) at (1) [-Wconversion] wavefcr.f90:93:21: 93 | wfcr(i+lm,1)=t1*zbshti(lm,lm1) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] wavefcr.f90:98:21: 98 | wfcr(i+lm,2)=t2*zbshti(lm,lm2) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] wavefcr.f90:120:28: 120 | if (lm1 > 0) wfcr(i1,1)=t0*c1 | 1 Warning: Possible change of value in conversion from REAL(8) to COMPLEX(4) at (1) [-Wconversion] wavefcr.f90:121:28: 121 | if (lm2 > 0) wfcr(i2,2)=t0*c2 | 1 Warning: Possible change of value in conversion from REAL(8) to COMPLEX(4) at (1) [-Wconversion] wavefcr.f90:129:21: 129 | wfcr(i+lm,1)=t1*zbshto(lm,lm1) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] wavefcr.f90:134:21: 134 | wfcr(i+lm,2)=t2*zbshto(lm,lm2) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] wavefcr.f90:84:33: 84 | if (lm1 > 0) wfcr(i1,1)=t0*c1 | ^ Warning: 'i1' may be used uninitialized [-Wmaybe-uninitialized] wavefcr.f90:19:12: 19 | integer i,i1,i2 | ^ note: 'i1' was declared here wavefcr.f90:85:33: 85 | if (lm2 > 0) wfcr(i2,2)=t0*c2 | ^ Warning: 'i2' may be used uninitialized [-Wmaybe-uninitialized] wavefcr.f90:19:15: 19 | integer i,i1,i2 | ^ note: 'i2' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c lopzflm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c brzint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rotdmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genylmg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gentaucr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readinput.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c numlist.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hermite.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genfspecies.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c atpstep.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dmatls.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeengy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writechg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rbsht.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfsht.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genlofr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rotrfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genpmatk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rvfcross.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeinfo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mossbauer.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c initoep.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c i3minv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genidxlo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c nuclei.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeefg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeevsp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gencore.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mtv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3minv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3frac.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genapwlofr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gridsize.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symrfir.f90 symrfir.f90:37:16: 37 | real(8) v1,v2,v3,t1 | ^ Warning: 'v3' is used uninitialized [-Wuninitialized] symrfir.f90:37:10: 37 | real(8) v1,v2,v3,t1 | ^ Warning: 'v1' is used uninitialized [-Wuninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c erf.f90 erf.f90:8:0: 8 | elemental real(8) function erf(x) Warning: 'erf' declared at (1) is also the name of an intrinsic. It can only be called via an explicit interface or if declared EXTERNAL. [-Wintrinsic-shadow] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c geomplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ylmroty.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ssfext.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writestate.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sdelta_sq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potxcir.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potxc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rcfmtinp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhoplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c occupy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symveca.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c jprplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvmatk.f90 genvmatk.f90:56:19: 56 | wfmt1(1:npc)=vmt(1:npc,ias)*wfmt(1:npc,ias,ispn,jst) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genvmatk.f90:93:18: 93 | wfir(1:ngtot)=vir(1:ngtot)*wfir(1:ngtot) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c geomopt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnss.f90 eveqnss.f90:25:13: 25 | complex(8) zq | ^ Warning: 'REALPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] eveqnss.f90:25:13: Warning: 'IMAGPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hartfock.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genwfpw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlxbse.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlxbsek.f90 hmlxbsek.f90:51:16: 51 | cvclir(:,l)=cvclir(:,l)*cfrc(:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmldbse.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmldbsek.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gradwfcr2.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c oepresk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c addlorbcnd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c energy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wfplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c oepvcl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c oepvclk.f90 oepvclk.f90:137:18: 137 | cvclir(:)=cvclir(:)*cfrc(:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c polar.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dbxcplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sbesseldm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writehmlbse.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dielectric_bse.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vecplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c nesting.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeevbse.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c emdplot3d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c emdplot2d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c emdplot1d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfhkintp.f90 rfhkintp.f90:65:34: 65 | t2=(vhpl(1)-v0(1))*dble(ngridk(1)) | ^ Warning: 'v0[0]' may be used uninitialized [-Wmaybe-uninitialized] rfhkintp.f90:20:13: 20 | real(8) v0(3),v1(3),v2(3),t1,t2 | ^ note: 'v0[0]' was declared here rfhkintp.f90:71:34: 71 | t2=(vhpl(2)-v0(2))*dble(ngridk(2)) | ^ Warning: 'v0[1]' may be used uninitialized [-Wmaybe-uninitialized] rfhkintp.f90:20:13: 20 | real(8) v0(3),v1(3),v2(3),t1,t2 | ^ note: 'v0[1]' was declared here rfhkintp.f90:75:34: 75 | t2=(vhpl(3)-v0(3))*dble(ngridk(3)) | ^ Warning: 'v0[2]' may be used uninitialized [-Wmaybe-uninitialized] rfhkintp.f90:20:13: 20 | real(8) v0(3),v1(3),v2(3),t1,t2 | ^ note: 'v0[2]' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writewfpw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vblocal.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writefsm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getwfpw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plotpt1d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c init1.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c init2.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findsymcrys.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plotpt3d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fermisurfbxsf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genspecies.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeexpmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writekpts.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wfcrplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writedos.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c energykncr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggamt_1.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggair_1.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggamt_sp_1.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggair_sp_1.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggamt_2a.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggair_2a.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggamt_2b.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggair_2b.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggamt_sp_2a.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggair_sp_2a.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggamt_sp_2b.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggair_sp_2b.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeemd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c reademd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c emdplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c init3.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c init4.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c bfieldfsm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c testcheck.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall 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--get LDFLAGS` -c genbs.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gradwf2.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writelinen.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfmtlm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putpmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getpmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` 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-c getevalsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getevecsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putevecsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genshtmat.f90 genshtmat.f90:77:12: 77 | cbshti(:,:)=zbshti(:,:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genshtmat.f90:78:12: 78 | cfshti(:,:)=zfshti(:,:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genshtmat.f90:125:12: 125 | cbshto(:,:)=zbshto(:,:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genshtmat.f90:126:12: 126 | cfshto(:,:)=zfshto(:,:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c allatoms.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putevecfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getevecfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writesym.f90 mpif90 `dpkg-buildflags --get FFLAGS` 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symmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c radnucl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symrvf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeqpts.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rndevsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengkvec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags 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wspline.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c splined.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findswidth.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findsymlat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writepmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genstrain.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symmetry.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c linengy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writestress.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eulerrot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c cftwfir.f90 cftwfir.f90:31:43: 31 | wfir(igfc(igpig(igp,jspn)),ispn,ist)=t0*c(igp) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rschrodint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writegclq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writegeom.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writemom.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c curlrvf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genzvclmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genjtot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symvec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c checkwrite.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genjprk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c proj2d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genidxbse.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symrvfir.f90 symrvfir.f90:40:24: 40 | real(8) sc(3,3),v1,v2,v3,t1 | ^ Warning: 'v3' is used uninitialized [-Wuninitialized] symrvfir.f90:40:18: 40 | real(8) sc(3,3),v1,v2,v3,t1 | ^ Warning: 'v1' is used uninitialized [-Wuninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genjpr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnfvr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gentau.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genjlgpr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writestrain.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writefermi.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfmtctof.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findsym.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfsht.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhonorm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvchi0.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c cfmtconj.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c stheta_sq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sdelta_lr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c stheta_lr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findsymsite.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genlmirep.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writespecies.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhomagk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symrvfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wigner3jf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genhvec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ylmrot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wxcplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c massnucl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendmatk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c straingkq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c oepmain.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdirac.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c bandstr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sfacinit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findscq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plot1d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plot2d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plot3d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c init0.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readstate.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnhf.f90 eveqnhf.f90:143:16: 143 | cvclir(:)=cvclir(:)*cfrc(:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zbsht.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c i3mtv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c spline.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gauntyry.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findnjcmax.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gndstate.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sstask.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fermisurf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c spiralsc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c atom.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c maginit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c exxengyk.f90 exxengyk.f90:113:16: 113 | cvclir(:)=cvclir(:)*cfrc(:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c moke.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlrad.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dos.f90 dos.f90:343:25: 343 | lm,elm(lm,ias) | ^ Warning: 'elm.offset' may be used uninitialized [-Wmaybe-uninitialized] dos.f90:60:50: 60 | real(8), allocatable :: dt(:,:),dp(:,:,:),elm(:,:) | ^ note: 'elm.offset' was declared here dos.f90:343:25: 343 | lm,elm(lm,ias) | ^ Warning: 'elm.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] dos.f90:60:50: 60 | real(8), allocatable :: dt(:,:),dp(:,:,:),elm(:,:) | ^ note: 'elm.dim[1].stride' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findprimcell.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plotpt2d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sfacrho.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c bdipole.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dielectric.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c elfplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vclcore.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfmtwr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zvcldisp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vecfbz.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c lopzflmn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zpotclmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readfermi.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gensdmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symrfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sphcrd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gencrm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rminv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rtozfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genwfsvp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genwfsvp_sp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdiracint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rotzflm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c latvstep.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gradzfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c cfsht.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wfmtsv_sp.f90 wfmtsv_sp.f90:180:8: 180 | cf(1,:)=cf(1,:)+z*rf(1,:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wfirsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wfirsv_sp.f90 wfirsv_sp.f90:50:27: 50 | wfir(1:n,ispn,j)=wfir(1:n,ispn,j)+z1*evecfv(1:n,ist,jspn) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] wfirsv_sp.f90:54:20: 54 | wfgp(1:n)=wfgp(1:n)+z1*evecfv(1:n,ist,jspn) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] wfirsv_sp.f90:70:20: 70 | wfir(1:n,1,j)=evecfv(1:n,k,1) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] wfirsv_sp.f90:74:36: 74 | wfir(igf(igpig(igp,1)),1,j)=t0*evecfv(igp,k,1) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genwfsv_sp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggamt_4.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggair_4.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c trzhmm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengvec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wigner3j.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengvc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potnucl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfmtint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfmtint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvsig.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfmtinp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findngkmax.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potks.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mtdmin.f90 mtdmin.f90:67:17: 67 | dmin=sqrt(d2m)-rm | ^ Warning: 'd2m' may be used uninitialized [-Wmaybe-uninitialized] mtdmin.f90:30:14: 30 | real(8) d2,d2m,r,r2,rm,dr,drm | ^ note: 'd2m' was declared here mtdmin.f90:67:17: 67 | dmin=sqrt(d2m)-rm | ^ Warning: 'rm' may be used uninitialized [-Wmaybe-uninitialized] mtdmin.f90:30:22: 30 | real(8) d2,d2m,r,r2,rm,dr,drm | ^ note: 'rm' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfcopy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhomagv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genffacgp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c unitary.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zmdet.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfmtftoc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zminv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symrf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeeval.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mixerifc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c splinew.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c nfftifc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c batchdv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readevalsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readoccsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c z2mm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c z2mctm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c z2mmct.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zmctmu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zmctm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rzmctmu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c moldyn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gencrho.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c cpotclmt.f90 cpotclmt.f90:90:5: 90 | g(2)=zsm | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:94:9: 94 | g(i+1)=zsm | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:97:5: 97 | g(n)=zsm+wp(j)*f(n-3)+wp(j+1)*f(n-2)+wp(j+2)*f(n-1)+wp(j+3)*f(n) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:31:13: 31 | f1(ir)=rl(ir,l1)*crhomt(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:32:13: 32 | f2(ir)=rl(ir,l2)*crhomt(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:37:13: 37 | f1(ir)=rl(ir,l1)*crhomt(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:38:13: 38 | f2(ir)=rl(ir,l2)*crhomt(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:45:16: 45 | cvclmt(i)=t0*(rl(ir,l3)*f3(ir)+rl(ir,l)*(c1-f1(ir))) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:49:16: 49 | cvclmt(i)=t0*(rl(ir,l3)*f3(ir)+rl(ir,l)*(c1-f1(ir))) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:62:13: 62 | f1(ir)=rl(ir,l1)*crhomt(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:63:13: 63 | f2(ir)=rl(ir,l2)*crhomt(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:70:16: 70 | cvclmt(i)=t0*(rl(ir,l3)*f3(ir)+rl(ir,l)*(c1-f1(ir))) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfmtsm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rbshtip.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfshtip.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zbshtip.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfshtip.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c cbsht.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c cbshtip.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c cfshtip.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gencvclmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zcfmtinp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zcfinp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggamt_3.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggair_3.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c piezoelt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c magnetoelt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rmtavrg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zlrzncnv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c efieldmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeefield.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sort.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dmatch.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dolpistl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c drhomagsh.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dhmlistl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendcfun.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendvsig.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c olpaloq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlaloq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dolpalo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dhmlalo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dhmllolo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c olpaaq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dolpaa.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dhmlaa.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlaaq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c initeph.f90 initeph.f90:105:26: 105 | ephmkq(:,:,:,ik,iq)=ephmat(:,:,:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dengyeph.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gndsteph.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqneph.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlepha.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlephb.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlephde.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getephmkq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ephdos.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gradrhomt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c doccupy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dhmlrad.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendwfsv.f90 gendwfsv.f90:32:58: 32 | complex(8), allocatable :: wfmt1(:,:),wfmt2(:),dwfmt1(:,:) | ^ Warning: 'dwfmt1.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dwfmtfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengqvec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writedvs.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readdyn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dyntask.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dpotks.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dpotxc.f90 dpotxc.f90:72:55: 72 | dbmt(1:np,1)=fxcmt(1:np,ias,1,4)*drhomt(1:np,ias) | ^ Warning: 'dbmt.offset' may be used uninitialized [-Wmaybe-uninitialized] dpotxc.f90:16:44: 16 | complex(8), allocatable :: dvmt(:),dbmt(:,:) | ^ note: 'dbmt.offset' was declared here dpotxc.f90:72:55: 72 | dbmt(1:np,1)=fxcmt(1:np,ias,1,4)*drhomt(1:np,ias) | ^ Warning: 'dbmt.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] dpotxc.f90:16:44: 16 | complex(8), allocatable :: dvmt(:),dbmt(:,:) | ^ note: 'dbmt.dim[1].stride' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c deveqnfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dpotcoul.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c drhomagk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengvsmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dforce.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dforcek.f90 dforcek.f90:273:78: 273 | call zgemv('N',nstfv,nstfv,zone,ffv,nstfv,evecsv(i,j),1,zzero,y,1) | ^ Warning: 'devecsv.offset' may be used uninitialized [-Wmaybe-uninitialized] dforcek.f90:30:51: 30 | complex(8), allocatable :: evecsv(:,:),devecsv(:,:) | ^ note: 'devecsv.offset' was declared here dforcek.f90:273:78: 273 | call zgemv('N',nstfv,nstfv,zone,ffv,nstfv,evecsv(i,j),1,zzero,y,1) | ^ Warning: 'devecsv.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] dforcek.f90:30:51: 30 | complex(8), allocatable :: evecsv(:,:),devecsv(:,:) | ^ note: 'devecsv.dim[1].stride' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dynqtor.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dynevs.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c phonon.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dynrtoq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mcmillan.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genephmat.f90 genephmat.f90:104:15: 104 | wfir2(:)=dvir(:,l)*wfir1(:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengkqvec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genmcph.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putdevecfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getdevecfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putdevecsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getdevecsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c phononsc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genscph.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c phdisp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dynsymapp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dynsym.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dynev.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c phdos.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sumrule.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writephn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dynfext.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writegamma.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readgamma.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c phlwidth.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c alpha2f.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writelambda.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ephcouple.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eliashberg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c phscdvs.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readdvs.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readalpha2f.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendsocfr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c bornechg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c bectask.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c becfext.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putephmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getephmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_pzca.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_pwca.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_pbe.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_am05.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_xalpha.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_wc06.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c x_wc06.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c x_pbe.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c c_pbe.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c c_pbe_gcor.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_vbh.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fxc_pwca.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c k_tf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c k_tf_sp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c k_tf1.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c k_tfvw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c k_tfvw_sp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c k_tfvw1.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c k_vwlb.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendmatmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genveedu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tm2todm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tm3todm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dmtotm3.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writedftu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sbesseli.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c shankeli.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genfdu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genfdufr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c engyfdu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findlambda.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vmatmtsc.f90 vmatmtsc.f90:29:49: 29 | vmatmti(1:lmmaxi,1:lmmaxi,ispn,jspn,ias)=c(1:lmmaxi,1:lmmaxi) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] vmatmtsc.f90:37:35: 37 | vmatmto(:,:,ispn,jspn,ias)=c(:,:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvmatmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vmatmtdu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vmatmtftm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fyukawa.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fyukawa0.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readdmatmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetm3.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendmftm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeftm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetdtm3.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genwkpr0.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tm3rtoz.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmft.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmwriteengy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmminc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmvaryc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmdedc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmengyxc.f90 rdmengyxc.f90:73:45: 73 | engyx=engyx-t2*vcl1221(ist2,ist1,ik2) | ^ Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] rdmengyxc.f90:24:13: 24 | real(8) t1,t2,t3,t4 | ^ note: 't2' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmminn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmvaryn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmdkdc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmenergy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmwritededn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmdedn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmdexcdn.f90 rdmdexcdn.f90:77:63: 77 | dedn(ist2,ik2)=dedn(ist2,ik2)+t2*vcl1221(ist2,ist1,ik2) | ^ Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] rdmdexcdn.f90:31:13: 31 | real(8) t1,t2,t3,t4 | ^ note: 't2' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvcl1223.f90 genvcl1223.f90:110:16: 110 | cvclir(:)=cvclir(:)*cfrc(:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getvcl1221.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getvcl1223.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writevcl1221.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writevcl1223.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmdexcdc.f90 rdmdexcdc.f90:80:40: 80 | vcl1223(ist1,ist3,ist4,ik2) | ^ Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] rdmdexcdc.f90:29:13: 29 | real(8) t1,t2,t3 | ^ note: 't2' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmdtsdn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmentropy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmeval.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvcl1221.f90 genvcl1221.f90:105:16: 105 | cvclir(:)=cvclir(:)*cfrc(:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwdmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwlocal.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genwgw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwtails.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c minf_nm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c acpole.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwrhomag.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwdmatk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwefermi.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dysonr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwsefm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putgwsefm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getgwsefm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeigw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c polefit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwchgk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwsefmk.f90 gwsefmk.f90:124:24: 124 | crgq(ist1,:,ist3)=conjg(zfgq(:)) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] gwsefmk.f90:139:16: 139 | cvclir(:)=cvclir(:)*cfrc(:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] gwsefmk.f90:188:25: 188 | wc(iwfft(iw),ig)=t2*epsi(ig,jg,jw) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] gwsefmk.f90:198:13: 198 | c1=z1*wc(it,jg) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] gwsefmk.f90:204:15: 204 | c1=z1*wc(it,ig) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwspecf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writegwsf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c acgwse.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fmin_nm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfpole.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwbandstr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeatdisp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetdforces.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readatdvc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetdengy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writemomtd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tddftlr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genhmlt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetddos.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeafpdt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readafindt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvfxc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genfxcr.f90 genfxcr.f90:51:52: 51 | t1=sqrt(mag(i,1)**2+mag(i,2)**2+mag(i,3)**2) | ^ Warning: 'mag.offset' may be used uninitialized [-Wmaybe-uninitialized] genfxcr.f90:18:57: 18 | real(8), allocatable :: rho(:),rhoup(:),rhodn(:),mag(:,:) | ^ note: 'mag.offset' was declared here genfxcr.f90:18:57: Warning: 'mag.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tdtemp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetdlsj.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genspfxcr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvfxcg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tddftsplr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genspfxcg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genafieldt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetddft.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dielectric_tdrt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readjtot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c afindtstep.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genefieldt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c energytd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c engyknk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readforcet.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tdrestart.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeatdvc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhostatic.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c jtotk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhosplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c bornecdyn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c becforce.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tdinit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readrhos.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengvnsmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genhafspt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeaxsf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c atptstep.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potkst.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tdbackup.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetimes.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readtimes.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gentimes.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readafieldt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genjr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tddft.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c timestep.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetdjtk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfirctof.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeevalu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writekpa.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genhdbulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vblocalu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c chargeu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c addbfsmu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c momentu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c occupyulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potksu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writevclr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genzvmatk.f90 genzvmatk.f90:45:19: 45 | wfmt1(1:npc)=zvmt(1:npc,ias)*wfmt(1:npc,ias,ispn,jst) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genzvmatk.f90:65:19: 65 | wfir1(1:ngtot)=zvir(1:ngtot)*wfir(1:ngtot,ispn,jst) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genzvbmatk.f90 genzvbmatk.f90:126:10: 126 | wf21(i)=(zv(i)+zb(i))*wf11(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genzvbmatk.f90:127:10: 127 | wf22(i)=(zv(i)-zb(i))*wf12(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genzvbmatk.f90:111:10: 111 | wf21(i)=(zv(i)+zb3(i))*wf11(i)+(zb1(i)-z1)*wf12(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genzvbmatk.f90:112:10: 112 | wf22(i)=(zv(i)-zb3(i))*wf12(i)+(zb1(i)+z1)*wf11(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhomagq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeengyu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfzfftq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhocoreu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhomaguk.f90 rhomaguk.f90:72:9: 72 | wo=occulr(j,ik0)*wkpt(ik) | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genhmlu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potxcu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeinfou.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vclqinit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writechgrmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c initulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writemomrmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writestulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readstulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potefieldu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c puthdbulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gethdbulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potuinit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readvclr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genkpakq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plotu1d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plotu2d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plotu3d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gndstulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plotulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potuplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potcoulu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhouplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c maguplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c initw90.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writew90.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writew90win.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writew90eig.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c setupw90.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writew90mmn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writew90spn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writew90amn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writew90unk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dmatuv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dmatwx.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnuv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnwxy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeevaluv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c occupyuv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putevaluv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getevaluv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putevecuv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getevecuv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putevecwxy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getevecwxy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putevalwx.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getevalwx.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c aceplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeevalwx.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -o elk modmain.o modmpi.o modramdisk.o libxcf90.o libxcifc.o modxcifc.o modfxcifc.o moddftu.o modrdm.o modphonon.o modtest.o modrandom.o modpw.o modvars.o modtddft.o modgw.o modulr.o modbog.o moddelf.o modomp.o mkl_stub.o mkl_init.o modw90.o zfftifc_fftw.o cfftifc_fftw.o elk.o factn.o factr.o factn2.o r3mm.o r3mtm.o r3mmt.o r3vo.o gcd.o rfint.o trimrfg.o gencfun.o zpotcoul.o cpotcoul.o potcoul.o zftcf.o elnes.o symdmat.o axangsu2.o gradzvcln.o gentpmae.o zfcmtwr.o cfcmtwr.o projsbf.o gradzf.o timesec.o zfmtftoc.o ztorfmt.o zfmtctof.o eveqnfvz.o energynn.o gaunt.o potxcmt.o sdelta_mp.o stheta_mp.o sdelta_fd.o stheta_fd.o writelsj.o eveqnzh.o gensmatk.o gensfacgp.o rhomag.o wsplintp.o checkmt.o reciplat.o gradrf.o gencfrm.o mixadapt.o zftrf.o sbessel.o gengclgq.o genstress.o force.o genvbmatk.o forcek.o writeepsinv.o olprad.o polark.o zfmtinp.o hflocal.o mixbroyden.o grad2rfmt.o clebgor.o rfirctof.o effmass.o sfacmag.o polynm.o epsinv.o rfinpc.o writeiad.o genapwfr.o gengclq.o addbfsm.o genylmv.o olpfv.o hmlfv.o genexpmt.o rfinp.o sphcover.o sctovec.o genppts.o eveqnzg.o fderiv.o genpmat.o genexpmat.o writeforces.o r3cross.o match.o genspchi0.o potefield.o rhoinit.o eveqnsv.o roteuler.o genrmesh.o splint.o wavefcr.o lopzflm.o brzint.o rotdmat.o genylmg.o gentaucr.o readinput.o numlist.o hermite.o genfspecies.o atpstep.o dmatls.o writeengy.o writechg.o rbsht.o rfsht.o genlofr.o rotrfmt.o genpmatk.o rvfcross.o writeinfo.o mossbauer.o initoep.o i3minv.o r3mv.o genidxlo.o nuclei.o writeefg.o writeevsp.o gencore.o r3mtv.o r3minv.o r3frac.o genapwlofr.o gridsize.o symrfir.o erf.o geomplot.o ylmroty.o ssfext.o writestate.o sdelta_sq.o potxcir.o potxc.o rcfmtinp.o rhoplot.o occupy.o symveca.o jprplot.o genvmatk.o geomopt.o eveqnss.o hartfock.o potplot.o genwfpw.o hmlxbse.o hmlxbsek.o hmldbse.o hmldbsek.o gradwfcr2.o oepresk.o addlorbcnd.o energy.o wfplot.o oepvcl.o oepvclk.o polar.o dbxcplot.o sbesseldm.o writehmlbse.o dielectric_bse.o vecplot.o nesting.o writeevbse.o emdplot3d.o emdplot2d.o emdplot1d.o rfhkintp.o writewfpw.o vblocal.o writefsm.o getwfpw.o plotpt1d.o init1.o init2.o findsymcrys.o plotpt3d.o fermisurfbxsf.o genspecies.o writeexpmat.o writekpts.o wfcrplot.o writedos.o energykncr.o ggamt_1.o ggair_1.o ggamt_sp_1.o ggair_sp_1.o ggamt_2a.o ggair_2a.o ggamt_2b.o ggair_2b.o ggamt_sp_2a.o ggair_sp_2a.o ggamt_sp_2b.o ggair_sp_2b.o writeemd.o reademd.o emdplot.o init3.o init4.o bfieldfsm.o testcheck.o pade.o wsplint.o gensocfr.o pades.o genscss.o rfcmtwr.o nonlinopt.o writelat.o rhocore.o rcfinp.o readspecies.o findband.o exxengy.o gentauk.o gradrfmt.o checkfsm.o genrlmv.o mae.o writegvecrf.o zcfmtwr.o wfmtsv.o olpistl.o hmlistl.o olpalo.o hmlalo.o olplolo.o hmllolo.o olpaa.o hmlaa.o gengclg.o rhomagsh.o charge.o moment.o rfint0.o r3mdet.o gencfrc.o checkstop.o genbs.o gradwf2.o writelinen.o rfmtlm.o putpmat.o getpmat.o rfmtpack.o zfmtpack.o putevalfv.o getevalfv.o wfmtfv.o putkmat.o getkmat.o putepsinv.o getcfgq.o putevalsv.o getevalsv.o getevecsv.o putevecsv.o genshtmat.o allatoms.o putevecfv.o getevecfv.o writesym.o putoccsv.o getoccsv.o torque.o findqpt.o findkpt.o genevfsv.o genwfsv.o sdelta.o stheta.o sortidx.o symmat.o radnucl.o symrvf.o writeqpts.o rndevsv.o gengkvec.o mixlinear.o writesf.o gengqf.o genkmat.o genolpq.o genjlgprmt.o rfinterp.o fsmooth.o axangrot.o rotaxang.o wspline.o splined.o findswidth.o findsymlat.o writepmat.o genstrain.o symmetry.o linengy.o writestress.o eulerrot.o cftwfir.o rschrodint.o writegclq.o writegeom.o writemom.o gendmat.o curlrvf.o genzvclmt.o genjtot.o symvec.o checkwrite.o genjprk.o proj2d.o genidxbse.o symrvfir.o genjpr.o eveqnfvr.o gentau.o genjlgpr.o writestrain.o writefermi.o rfmtctof.o findsym.o zfsht.o rhonorm.o genvchi0.o cfmtconj.o stheta_sq.o sdelta_lr.o stheta_lr.o findsymsite.o genlmirep.o writespecies.o rhomagk.o symrvfmt.o wigner3jf.o genhvec.o ylmrot.o wxcplot.o massnucl.o gendmatk.o rfplot.o straingkq.o eveqnit.o oepmain.o rdirac.o bandstr.o sfacinit.o findscq.o plot1d.o plot2d.o plot3d.o init0.o readstate.o eveqnhf.o zbsht.o i3mtv.o spline.o gauntyry.o findnjcmax.o gndstate.o sstask.o fermisurf.o spiralsc.o atom.o maginit.o exxengyk.o moke.o hmlrad.o dos.o findprimcell.o plotpt2d.o sfacrho.o bdipole.o dielectric.o elfplot.o vclcore.o zfmtwr.o zvcldisp.o vecfbz.o lopzflmn.o zpotclmt.o readfermi.o gensdmat.o symrfmt.o sphcrd.o gencrm.o rminv.o rtozfmt.o genwfsvp.o genwfsvp_sp.o rdiracint.o rotzflm.o latvstep.o gradzfmt.o eveqnfv.o cfsht.o wfmtsv_sp.o wfirsv.o wfirsv_sp.o genwfsv_sp.o ggamt_4.o ggair_4.o trzhmm.o gengvec.o wigner3j.o gengvc.o potnucl.o zfmtint.o rfmtint.o genvsig.o rfmtinp.o findngkmax.o potks.o mtdmin.o rfcopy.o rhomagv.o eveqn.o genffacgp.o unitary.o zmdet.o rfmtftoc.o zminv.o symrf.o genvmat.o writeeval.o mixerifc.o splinew.o nfftifc.o batchdv.o readevalsv.o readoccsv.o z2mm.o z2mctm.o z2mmct.o zmctmu.o zmctm.o rzmctmu.o moldyn.o gencrho.o cpotclmt.o rfmtsm.o rbshtip.o rfshtip.o zbshtip.o zfshtip.o cbsht.o cbshtip.o cfshtip.o gencvclmt.o zcfmtinp.o zcfinp.o ggamt_3.o ggair_3.o piezoelt.o magnetoelt.o rmtavrg.o zlrzncnv.o efieldmt.o writeefield.o sort.o dmatch.o dolpistl.o drhomagsh.o dhmlistl.o gendcfun.o gendvsig.o olpaloq.o hmlaloq.o dolpalo.o dhmlalo.o dhmllolo.o olpaaq.o dolpaa.o dhmlaa.o hmlaaq.o initeph.o dengyeph.o gndsteph.o eveqneph.o hmlepha.o hmlephb.o hmlephde.o getephmkq.o ephdos.o gradrhomt.o doccupy.o dhmlrad.o gendwfsv.o dwfmtfv.o gengqvec.o writedvs.o readdyn.o dyntask.o dpotks.o dpotxc.o deveqnfv.o dpotcoul.o drhomagk.o gengvsmt.o dforce.o dforcek.o dynqtor.o dynevs.o phonon.o dynrtoq.o mcmillan.o genephmat.o gengkqvec.o genmcph.o putdevecfv.o getdevecfv.o putdevecsv.o getdevecsv.o phononsc.o genscph.o phdisp.o dynsymapp.o dynsym.o dynev.o phdos.o sumrule.o writephn.o dynfext.o writegamma.o readgamma.o phlwidth.o alpha2f.o writelambda.o ephcouple.o eliashberg.o phscdvs.o readdvs.o readalpha2f.o gendsocfr.o bornechg.o bectask.o becfext.o putephmat.o getephmat.o xc_pzca.o xc_pwca.o xc_pbe.o xc_am05.o xc_xalpha.o xc_wc06.o x_wc06.o x_pbe.o c_pbe.o c_pbe_gcor.o xc_vbh.o fxc_pwca.o k_tf.o k_tf_sp.o k_tf1.o k_tfvw.o k_tfvw_sp.o k_tfvw1.o k_vwlb.o gendmatmt.o genveedu.o tm2todm.o tm3todm.o dmtotm3.o writedftu.o sbesseli.o shankeli.o genfdu.o genfdufr.o engyfdu.o findlambda.o vmatmtsc.o genvmatmt.o vmatmtdu.o vmatmtftm.o fyukawa.o fyukawa0.o readdmatmt.o writetm.o writetm3.o gendmftm.o writeftm.o writetdtm3.o genwkpr0.o tm3rtoz.o rdmft.o rdmwriteengy.o rdmminc.o rdmvaryc.o rdmdedc.o rdmengyxc.o rdmminn.o rdmvaryn.o rdmdkdc.o rdmenergy.o rdmwritededn.o rdmdedn.o rdmdexcdn.o genvcl1223.o getvcl1221.o getvcl1223.o writevcl1221.o writevcl1223.o rdmdexcdc.o rdmdtsdn.o rdmentropy.o rdmeval.o genvcl1221.o gwdmat.o gwlocal.o genwgw.o gwtails.o minf_nm.o acpole.o gwrhomag.o gwdmatk.o gwefermi.o dysonr.o gwsefm.o putgwsefm.o getgwsefm.o writeigw.o polefit.o gwchgk.o gwsefmk.o gwspecf.o writegwsf.o acgwse.o fmin_nm.o zfpole.o gwbandstr.o writeatdisp.o writetdforces.o readatdvc.o writetdengy.o writemomtd.o tddftlr.o genhmlt.o writetddos.o writeafpdt.o readafindt.o genvfxc.o genfxcr.o tdtemp.o writetdlsj.o genspfxcr.o genvfxcg.o tddftsplr.o genspfxcg.o genafieldt.o writetddft.o dielectric_tdrt.o readjtot.o afindtstep.o genefieldt.o energytd.o engyknk.o readforcet.o tdrestart.o writeatdvc.o rhostatic.o jtotk.o rhosplot.o bornecdyn.o becforce.o tdinit.o readrhos.o gengvnsmt.o genhafspt.o writeaxsf.o atptstep.o potkst.o tdbackup.o writetimes.o readtimes.o gentimes.o readafieldt.o genjr.o tddft.o timestep.o writetdjtk.o zfirctof.o writeevalu.o writekpa.o genhdbulr.o vblocalu.o chargeu.o addbfsmu.o momentu.o occupyulr.o potksu.o writevclr.o genzvmatk.o genzvbmatk.o rhomagq.o writeengyu.o rfzfftq.o rhocoreu.o eveqnulr.o rhomaguk.o genhmlu.o potxcu.o writeinfou.o zfplot.o vclqinit.o writechgrmt.o initulr.o writemomrmt.o writestulr.o readstulr.o potefieldu.o puthdbulr.o gethdbulr.o potuinit.o readvclr.o genkpakq.o plotu1d.o plotu2d.o plotu3d.o gndstulr.o plotulr.o potuplot.o potcoulu.o rhouplot.o maguplot.o initw90.o writew90.o writew90win.o writew90eig.o setupw90.o writew90mmn.o writew90spn.o writew90amn.o writew90unk.o dmatuv.o dmatwx.o eveqnuv.o eveqnwxy.o writeevaluv.o occupyuv.o putevaluv.o getevaluv.o putevecuv.o getevecuv.o putevecwxy.o getevecwxy.o putevalwx.o getevalwx.o aceplot.o writeevalwx.o -lblas -llapack `pkg-config --libs fftw3` `pkg-config --libs fftw3f` `pkg-config --cflags --libs libxc` -lxcf90 -lwannier make[3]: Leaving directory '/build/reproducible-path/elkcode-9.6.8/src' cd src/eos; make make[3]: Entering directory '/build/reproducible-path/elkcode-9.6.8/src/eos' mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modmain.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eos.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveos.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c pveos.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readinput.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getedata.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fitdata.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c output.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c minf_nm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fmin_nm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -o eos modmain.o eos.o eveos.o pveos.o readinput.o getedata.o fitdata.o output.o minf_nm.o fmin_nm.o make[3]: Leaving directory '/build/reproducible-path/elkcode-9.6.8/src/eos' cd src/spacegroup; make make[3]: Entering directory '/build/reproducible-path/elkcode-9.6.8/src/spacegroup' mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modmain.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c main.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readinput.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gencrystal.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sgsymb.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c seitzgen.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengroup.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c seitzeq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c seitzmul.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writegeom.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c geomplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findprimcell.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3frac.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3cross.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3minv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -o spacegroup modmain.o main.o readinput.o gencrystal.o sgsymb.o seitzgen.o gengroup.o seitzeq.o seitzmul.o writegeom.o geomplot.o findprimcell.o r3frac.o r3mv.o r3cross.o r3minv.o r3mm.o make[3]: Leaving directory '/build/reproducible-path/elkcode-9.6.8/src/spacegroup' make[2]: Leaving directory '/build/reproducible-path/elkcode-9.6.8' (cd src; /usr/bin/make doc) make[2]: Entering directory '/build/reproducible-path/elkcode-9.6.8/src' rm -f elk.aux elk.bbl elk.blg elk.log elk.pdf elk.tex elk.toc elk.lst LC_ALL=C ls modmain.f90 modmpi.f90 modramdisk.f90 libxcf90.f90 libxcifc.f90 modxcifc.f90 modfxcifc.f90 moddftu.f90 modrdm.f90 modphonon.f90 modtest.f90 modrandom.f90 modpw.f90 modvars.f90 modtddft.f90 modgw.f90 modulr.f90 modbog.f90 moddelf.f90 modomp.f90 mkl_stub.f90 mkl_init.f90 modw90.f90 factn.f90 factr.f90 factn2.f90 r3mm.f90 r3mtm.f90 r3mmt.f90 r3vo.f90 gcd.f90 rfint.f90 trimrfg.f90 gencfun.f90 zpotcoul.f90 cpotcoul.f90 potcoul.f90 zftcf.f90 elnes.f90 symdmat.f90 axangsu2.f90 gradzvcln.f90 gentpmae.f90 zfcmtwr.f90 cfcmtwr.f90 projsbf.f90 gradzf.f90 timesec.f90 zfmtftoc.f90 ztorfmt.f90 zfmtctof.f90 eveqnfvz.f90 energynn.f90 gaunt.f90 potxcmt.f90 sdelta_mp.f90 stheta_mp.f90 sdelta_fd.f90 stheta_fd.f90 writelsj.f90 eveqnzh.f90 gensmatk.f90 gensfacgp.f90 rhomag.f90 wsplintp.f90 checkmt.f90 reciplat.f90 gradrf.f90 gencfrm.f90 mixadapt.f90 zftrf.f90 sbessel.f90 gengclgq.f90 genstress.f90 force.f90 genvbmatk.f90 forcek.f90 writeepsinv.f90 olprad.f90 polark.f90 zfmtinp.f90 hflocal.f90 mixbroyden.f90 grad2rfmt.f90 clebgor.f90 rfirctof.f90 effmass.f90 sfacmag.f90 polynm.f90 epsinv.f90 rfinpc.f90 writeiad.f90 genapwfr.f90 gengclq.f90 addbfsm.f90 genylmv.f90 olpfv.f90 hmlfv.f90 genexpmt.f90 rfinp.f90 sphcover.f90 sctovec.f90 genppts.f90 eveqnzg.f90 fderiv.f90 genpmat.f90 genexpmat.f90 writeforces.f90 r3cross.f90 match.f90 genspchi0.f90 potefield.f90 rhoinit.f90 eveqnsv.f90 roteuler.f90 genrmesh.f90 splint.f90 wavefcr.f90 lopzflm.f90 brzint.f90 rotdmat.f90 genylmg.f90 gentaucr.f90 readinput.f90 numlist.f90 hermite.f90 genfspecies.f90 atpstep.f90 dmatls.f90 writeengy.f90 writechg.f90 rbsht.f90 rfsht.f90 genlofr.f90 rotrfmt.f90 genpmatk.f90 rvfcross.f90 writeinfo.f90 mossbauer.f90 initoep.f90 i3minv.f90 r3mv.f90 genidxlo.f90 nuclei.f90 writeefg.f90 writeevsp.f90 gencore.f90 r3mtv.f90 r3minv.f90 r3frac.f90 genapwlofr.f90 gridsize.f90 symrfir.f90 erf.f90 geomplot.f90 ylmroty.f90 ssfext.f90 writestate.f90 sdelta_sq.f90 potxcir.f90 potxc.f90 rcfmtinp.f90 rhoplot.f90 occupy.f90 symveca.f90 jprplot.f90 genvmatk.f90 geomopt.f90 eveqnss.f90 hartfock.f90 potplot.f90 genwfpw.f90 hmlxbse.f90 hmlxbsek.f90 hmldbse.f90 hmldbsek.f90 gradwfcr2.f90 oepresk.f90 addlorbcnd.f90 energy.f90 wfplot.f90 oepvcl.f90 oepvclk.f90 polar.f90 dbxcplot.f90 sbesseldm.f90 writehmlbse.f90 dielectric_bse.f90 vecplot.f90 nesting.f90 writeevbse.f90 emdplot3d.f90 emdplot2d.f90 emdplot1d.f90 rfhkintp.f90 writewfpw.f90 vblocal.f90 writefsm.f90 getwfpw.f90 plotpt1d.f90 init1.f90 init2.f90 findsymcrys.f90 plotpt3d.f90 fermisurfbxsf.f90 genspecies.f90 writeexpmat.f90 writekpts.f90 wfcrplot.f90 writedos.f90 energykncr.f90 ggamt_1.f90 ggair_1.f90 ggamt_sp_1.f90 ggair_sp_1.f90 ggamt_2a.f90 ggair_2a.f90 ggamt_2b.f90 ggair_2b.f90 ggamt_sp_2a.f90 ggair_sp_2a.f90 ggamt_sp_2b.f90 ggair_sp_2b.f90 writeemd.f90 reademd.f90 emdplot.f90 init3.f90 init4.f90 bfieldfsm.f90 testcheck.f90 pade.f90 wsplint.f90 gensocfr.f90 pades.f90 genscss.f90 rfcmtwr.f90 nonlinopt.f90 writelat.f90 rhocore.f90 rcfinp.f90 readspecies.f90 findband.f90 exxengy.f90 gentauk.f90 gradrfmt.f90 checkfsm.f90 genrlmv.f90 mae.f90 writegvecrf.f90 zcfmtwr.f90 wfmtsv.f90 olpistl.f90 hmlistl.f90 olpalo.f90 hmlalo.f90 olplolo.f90 hmllolo.f90 olpaa.f90 hmlaa.f90 gengclg.f90 rhomagsh.f90 charge.f90 moment.f90 rfint0.f90 r3mdet.f90 gencfrc.f90 checkstop.f90 genbs.f90 gradwf2.f90 writelinen.f90 rfmtlm.f90 putpmat.f90 getpmat.f90 rfmtpack.f90 zfmtpack.f90 putevalfv.f90 getevalfv.f90 wfmtfv.f90 putkmat.f90 getkmat.f90 putepsinv.f90 getcfgq.f90 putevalsv.f90 getevalsv.f90 getevecsv.f90 putevecsv.f90 genshtmat.f90 allatoms.f90 putevecfv.f90 getevecfv.f90 writesym.f90 putoccsv.f90 getoccsv.f90 torque.f90 findqpt.f90 findkpt.f90 genevfsv.f90 genwfsv.f90 sdelta.f90 stheta.f90 sortidx.f90 symmat.f90 radnucl.f90 symrvf.f90 writeqpts.f90 rndevsv.f90 gengkvec.f90 mixlinear.f90 writesf.f90 gengqf.f90 genkmat.f90 genolpq.f90 genjlgprmt.f90 rfinterp.f90 fsmooth.f90 axangrot.f90 rotaxang.f90 wspline.f90 splined.f90 findswidth.f90 findsymlat.f90 writepmat.f90 genstrain.f90 symmetry.f90 linengy.f90 writestress.f90 eulerrot.f90 cftwfir.f90 rschrodint.f90 writegclq.f90 writegeom.f90 writemom.f90 gendmat.f90 curlrvf.f90 genzvclmt.f90 genjtot.f90 symvec.f90 checkwrite.f90 genjprk.f90 proj2d.f90 genidxbse.f90 symrvfir.f90 genjpr.f90 eveqnfvr.f90 gentau.f90 genjlgpr.f90 writestrain.f90 writefermi.f90 rfmtctof.f90 findsym.f90 zfsht.f90 rhonorm.f90 genvchi0.f90 cfmtconj.f90 stheta_sq.f90 sdelta_lr.f90 stheta_lr.f90 findsymsite.f90 genlmirep.f90 writespecies.f90 rhomagk.f90 symrvfmt.f90 wigner3jf.f90 genhvec.f90 ylmrot.f90 wxcplot.f90 massnucl.f90 gendmatk.f90 rfplot.f90 straingkq.f90 eveqnit.f90 oepmain.f90 rdirac.f90 bandstr.f90 sfacinit.f90 findscq.f90 plot1d.f90 plot2d.f90 plot3d.f90 init0.f90 readstate.f90 eveqnhf.f90 zbsht.f90 i3mtv.f90 spline.f90 gauntyry.f90 findnjcmax.f90 gndstate.f90 sstask.f90 fermisurf.f90 spiralsc.f90 atom.f90 maginit.f90 exxengyk.f90 moke.f90 hmlrad.f90 dos.f90 findprimcell.f90 plotpt2d.f90 sfacrho.f90 bdipole.f90 dielectric.f90 elfplot.f90 vclcore.f90 zfmtwr.f90 zvcldisp.f90 vecfbz.f90 lopzflmn.f90 zpotclmt.f90 readfermi.f90 gensdmat.f90 symrfmt.f90 sphcrd.f90 gencrm.f90 rminv.f90 rtozfmt.f90 genwfsvp.f90 genwfsvp_sp.f90 rdiracint.f90 rotzflm.f90 latvstep.f90 gradzfmt.f90 eveqnfv.f90 cfsht.f90 wfmtsv_sp.f90 wfirsv.f90 wfirsv_sp.f90 genwfsv_sp.f90 ggamt_4.f90 ggair_4.f90 trzhmm.f90 gengvec.f90 wigner3j.f90 gengvc.f90 potnucl.f90 zfmtint.f90 rfmtint.f90 genvsig.f90 rfmtinp.f90 findngkmax.f90 potks.f90 mtdmin.f90 rfcopy.f90 rhomagv.f90 eveqn.f90 genffacgp.f90 unitary.f90 zmdet.f90 rfmtftoc.f90 zminv.f90 symrf.f90 genvmat.f90 writeeval.f90 mixerifc.f90 splinew.f90 nfftifc.f90 batchdv.f90 readevalsv.f90 readoccsv.f90 z2mm.f90 z2mctm.f90 z2mmct.f90 zmctmu.f90 zmctm.f90 rzmctmu.f90 moldyn.f90 gencrho.f90 cpotclmt.f90 rfmtsm.f90 rbshtip.f90 rfshtip.f90 zbshtip.f90 zfshtip.f90 cbsht.f90 cbshtip.f90 cfshtip.f90 gencvclmt.f90 zcfmtinp.f90 zcfinp.f90 ggamt_3.f90 ggair_3.f90 piezoelt.f90 magnetoelt.f90 rmtavrg.f90 zlrzncnv.f90 efieldmt.f90 writeefield.f90 sort.f90 xc_pzca.f90 xc_pwca.f90 xc_pbe.f90 xc_am05.f90 xc_xalpha.f90 xc_wc06.f90 x_wc06.f90 x_pbe.f90 c_pbe.f90 c_pbe_gcor.f90 xc_vbh.f90 fxc_pwca.f90 k_tf.f90 k_tf_sp.f90 k_tf1.f90 k_tfvw.f90 k_tfvw_sp.f90 k_tfvw1.f90 k_vwlb.f90 dmatch.f90 dolpistl.f90 drhomagsh.f90 dhmlistl.f90 gendcfun.f90 gendvsig.f90 olpaloq.f90 hmlaloq.f90 dolpalo.f90 dhmlalo.f90 dhmllolo.f90 olpaaq.f90 dolpaa.f90 dhmlaa.f90 hmlaaq.f90 initeph.f90 dengyeph.f90 gndsteph.f90 eveqneph.f90 hmlepha.f90 hmlephb.f90 hmlephde.f90 getephmkq.f90 ephdos.f90 gradrhomt.f90 doccupy.f90 dhmlrad.f90 gendwfsv.f90 dwfmtfv.f90 gengqvec.f90 writedvs.f90 readdyn.f90 dyntask.f90 dpotks.f90 dpotxc.f90 deveqnfv.f90 dpotcoul.f90 drhomagk.f90 gengvsmt.f90 dforce.f90 dforcek.f90 dynqtor.f90 dynevs.f90 phonon.f90 dynrtoq.f90 mcmillan.f90 genephmat.f90 gengkqvec.f90 genmcph.f90 putdevecfv.f90 getdevecfv.f90 putdevecsv.f90 getdevecsv.f90 phononsc.f90 genscph.f90 phdisp.f90 dynsymapp.f90 dynsym.f90 dynev.f90 phdos.f90 sumrule.f90 writephn.f90 dynfext.f90 writegamma.f90 readgamma.f90 phlwidth.f90 alpha2f.f90 writelambda.f90 ephcouple.f90 eliashberg.f90 phscdvs.f90 readdvs.f90 readalpha2f.f90 gendsocfr.f90 bornechg.f90 bectask.f90 becfext.f90 putephmat.f90 getephmat.f90 gendmatmt.f90 genveedu.f90 tm2todm.f90 tm3todm.f90 dmtotm3.f90 writedftu.f90 sbesseli.f90 shankeli.f90 genfdu.f90 genfdufr.f90 engyfdu.f90 findlambda.f90 vmatmtsc.f90 genvmatmt.f90 vmatmtdu.f90 vmatmtftm.f90 fyukawa.f90 fyukawa0.f90 readdmatmt.f90 writetm.f90 writetm3.f90 gendmftm.f90 writeftm.f90 writetdtm3.f90 genwkpr0.f90 tm3rtoz.f90 \ rdmft.f90 rdmwriteengy.f90 rdmminc.f90 rdmvaryc.f90 rdmdedc.f90 rdmengyxc.f90 rdmminn.f90 rdmvaryn.f90 rdmdkdc.f90 rdmenergy.f90 rdmwritededn.f90 rdmdedn.f90 rdmdexcdn.f90 genvcl1223.f90 getvcl1221.f90 getvcl1223.f90 writevcl1221.f90 writevcl1223.f90 rdmdexcdc.f90 rdmdtsdn.f90 rdmentropy.f90 rdmeval.f90 genvcl1221.f90 writeatdisp.f90 writetdforces.f90 readatdvc.f90 writetdengy.f90 writemomtd.f90 tddftlr.f90 genhmlt.f90 writetddos.f90 writeafpdt.f90 readafindt.f90 genvfxc.f90 genfxcr.f90 tdtemp.f90 writetdlsj.f90 genspfxcr.f90 genvfxcg.f90 tddftsplr.f90 genspfxcg.f90 genafieldt.f90 writetddft.f90 dielectric_tdrt.f90 readjtot.f90 afindtstep.f90 genefieldt.f90 energytd.f90 engyknk.f90 readforcet.f90 tdrestart.f90 writeatdvc.f90 rhostatic.f90 jtotk.f90 rhosplot.f90 bornecdyn.f90 becforce.f90 tdinit.f90 readrhos.f90 gengvnsmt.f90 genhafspt.f90 writeaxsf.f90 atptstep.f90 potkst.f90 tdbackup.f90 writetimes.f90 readtimes.f90 gentimes.f90 readafieldt.f90 genjr.f90 tddft.f90 timestep.f90 writetdjtk.f90 gwdmat.f90 gwlocal.f90 genwgw.f90 gwtails.f90 minf_nm.f90 acpole.f90 gwrhomag.f90 gwdmatk.f90 gwefermi.f90 dysonr.f90 gwsefm.f90 putgwsefm.f90 getgwsefm.f90 writeigw.f90 polefit.f90 gwchgk.f90 gwsefmk.f90 gwspecf.f90 writegwsf.f90 acgwse.f90 fmin_nm.f90 zfpole.f90 gwbandstr.f90 > elk.lst ./protex -F -s elk.f90 $(cat elk.lst) > elk.tex pdflatex elk;pdflatex elk;pdflatex elk This is pdfTeX, Version 3.141592653-2.6-1.40.26 (TeX Live 2025/dev/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./elk.tex LaTeX2e <2024-06-01> patch level 2 L3 programming layer <2024-05-27> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2024/02/08 v1.4n Standard LaTeX document class (/usr/share/texlive/texmf-dist/tex/latex/base/size11.clo)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsmath.sty For additional information on amsmath, use the `?' option. (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amstext.sty (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsgen.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsbsy.sty) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsopn.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amssymb.sty (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amsfonts.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/epsfig.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphicx.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/keyval.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphics.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/trig.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/graphics.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics-def/pdftex.def)))) (/usr/share/texlive/texmf-dist/tex/latex/tools/tabularx.sty (/usr/share/texlive/texmf-dist/tex/latex/tools/array.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/color.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/color.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics/mathcolor.ltx)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hyperref.sty (/usr/share/texlive/texmf-dist/tex/generic/iftex/iftex.sty) (/usr/share/texlive/texmf-dist/tex/latex/kvsetkeys/kvsetkeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/kvdefinekeys/kvdefinekeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdfescape/pdfescape.sty (/usr/share/texlive/texmf-dist/tex/generic/ltxcmds/ltxcmds.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdftexcmds/pdftexcmds.sty (/usr/share/texlive/texmf-dist/tex/generic/infwarerr/infwarerr.sty))) (/usr/share/texlive/texmf-dist/tex/latex/hycolor/hycolor.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/nameref.sty (/usr/share/texlive/texmf-dist/tex/latex/refcount/refcount.sty) (/usr/share/texlive/texmf-dist/tex/generic/gettitlestring/gettitlestring.sty (/usr/share/texlive/texmf-dist/tex/latex/kvoptions/kvoptions.sty))) (/usr/share/texlive/texmf-dist/tex/latex/etoolbox/etoolbox.sty) (/usr/share/texlive/texmf-dist/tex/generic/stringenc/stringenc.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/pd1enc.def) (/usr/share/texlive/texmf-dist/tex/generic/intcalc/intcalc.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/puenc.def) (/usr/share/texlive/texmf-dist/tex/latex/url/url.sty) (/usr/share/texlive/texmf-dist/tex/generic/bitset/bitset.sty (/usr/share/texlive/texmf-dist/tex/generic/bigintcalc/bigintcalc.sty)) (/usr/share/texlive/texmf-dist/tex/latex/base/atbegshi-ltx.sty)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hpdftex.def (/usr/share/texlive/texmf-dist/tex/latex/base/atveryend-ltx.sty) (/usr/share/texlive/texmf-dist/tex/latex/rerunfilecheck/rerunfilecheck.sty (/usr/share/texlive/texmf-dist/tex/generic/uniquecounter/uniquecounter.sty))) (/usr/share/texlive/texmf-dist/tex/latex/l3backend/l3backend-pdftex.def) No file elk.aux. (/usr/share/texlive/texmf-dist/tex/context/base/mkii/supp-pdf.mkii [Loading MPS to PDF converter (version 2006.09.02).] ) (/usr/share/texlive/texmf-dist/tex/latex/epstopdf-pkg/epstopdf-base.sty (/usr/share/texlive/texmf-dist/tex/latex/latexconfig/epstopdf-sys.cfg)) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsa.fd) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsb.fd) Overfull \hbox (17.24997pt too wide) in paragraph at lines 73--75 [][][][] Underfull \hbox (badness 10000) in paragraph at lines 73--75 [1{/var/lib/texmf/fonts/map/pdftex/updmap/pdftex.map} <./elk_silhouette.pdf>] No file elk.toc. [2] [3] [4] [5] [6] Overfull \hbox (14.77765pt too wide) in paragraph at lines 323--323 [] \OT1/cmtt/m/n/10.95 1 0 1 2.00000 T : nsp, ls p, ksp, occsp, spcore[] [7] [8] [9] [10] [11] [12] [13] Overfull \hbox (0.95221pt too wide) in paragraph at lines 677--681 []\OT1/cmr/m/n/10.95 If \OT1/cmtt/m/n/10.95 fracinr \OT1/cmr/m/n/10.95 is neg-a -tive then the frac-tion is de-ter-mined from $\OML/cmm/m/it/10.95 f \OT1/cmr/m /n/10.95 = []$ [14] [15] [16] [17] [18] [19] [20] [21] [22] [23] [24] [25] [26] Underfull \hbox (badness 1924) in paragraph at lines 1383--1383 []|\OT1/cmr/m/n/10.95 Generate the RPA in-verse di-elec-tric func-tion with lo- cal con-tri-bu-tions [27] [28] [29] [30] Overfull \hbox (13.04211pt too wide) in paragraph at lines 1536--1539 []\OT1/cmr/m/n/10.95 When this vari-able is \OT1/cmtt/m/n/10.95 .true.\OT1/cmr/ m/n/10.95 , the screened in-ter-ac-tion used in a $\OML/cmm/m/it/10.95 GW$ \OT1 /cmr/m/n/10.95 cal-cu-la-tion $\OML/cmm/m/it/10.95 W\OT1/cmr/m/n/10.95 (\OT1/cm r/bx/n/10.95 G\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 G[]\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 q\OML/cmm/m/it/10.95 ; !\OT1/cmr/m/n/10.95 )$ [31] [32] [33] [34] [35] Underfull \hbox (badness 10000) in paragraph at lines 1736--1737 Underfull \hbox (badness 10000) in paragraph at lines 1766--1767 [36] Overfull \hbox (26.27502pt too wide) in paragraph at lines 1790--1790 [] \OT1/cmtt/m/n/10.95 subroutine atom(sol,ptnucl,zn,nst,n,l,k,occ,xctype,xcgra d,nr,r,eval,rho,vr,rwf) Overfull \hbox (26.27502pt too wide) in paragraph at lines 1808--1808 [] \OT1/cmtt/m/n/10.95 eval : eigenvalue without rest-mass energy for eac h state (out,real(nst))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 1808--1808 [] \OT1/cmtt/m/n/10.95 rwf : major and minor components of radial wavefu nctions for each state[] Underfull \hbox (badness 10000) in paragraph at lines 1809--1810 [37] Underfull \hbox (badness 10000) in paragraph at lines 1833--1834 Underfull \hbox (badness 10000) in paragraph at lines 1861--1862 Underfull \hbox (badness 10000) in paragraph at lines 1883--1884 [38] Underfull \hbox (badness 10000) in paragraph at lines 1906--1907 Underfull \hbox (badness 10000) in paragraph at lines 1931--1932 [39] Underfull \hbox (badness 10000) in paragraph at lines 1968--1969 [40] Underfull \hbox (badness 10000) in paragraph at lines 2004--2005 [41] Underfull \hbox (badness 10000) in paragraph at lines 2028--2029 Underfull \hbox (badness 10000) in paragraph at lines 2049--2050 Underfull \hbox (badness 10000) in paragraph at lines 2072--2073 [42] Underfull \hbox (badness 10000) in paragraph at lines 2096--2097 [43] Underfull \hbox (badness 10000) in paragraph at lines 2125--2126 Overfull \hbox (20.52634pt too wide) in paragraph at lines 2154--2154 [] \OT1/cmtt/m/n/10.95 tocc : .true. if just the occupied orbitals should contribute to the DOS[] Underfull \hbox (badness 10000) in paragraph at lines 2155--2156 [44] Underfull \hbox (badness 10000) in paragraph at lines 2188--2189 [45] Underfull \hbox (badness 10000) in paragraph at lines 2214--2215 Underfull \hbox (badness 10000) in paragraph at lines 2251--2252 [46] Underfull \hbox (badness 10000) in paragraph at lines 2274--2275 [47] Underfull \hbox (badness 10000) in paragraph at lines 2338--2339 [48] Underfull \hbox (badness 10000) in paragraph at lines 2358--2359 Underfull \hbox (badness 10000) in paragraph at lines 2379--2380 Underfull \hbox (badness 10000) in paragraph at lines 2404--2405 [49] Underfull \hbox (badness 10000) in paragraph at lines 2433--2434 [50] Underfull \hbox (badness 10000) in paragraph at lines 2461--2462 Underfull \hbox (badness 10000) in paragraph at lines 2486--2487 [51] Underfull \hbox (badness 10000) in paragraph at lines 2509--2510 Overfull \hbox (32.02371pt too wide) in paragraph at lines 2540--2540 [] \OT1/cmtt/m/n/10.95 demax : maximum allowed change from the input energy ; enforced only if e < 0[] Underfull \hbox (badness 10000) in paragraph at lines 2541--2542 [52] Underfull \hbox (badness 10000) in paragraph at lines 2573--2574 Overfull \hbox (20.52634pt too wide) in paragraph at lines 2602--2602 [] \OT1/cmtt/m/n/10.95 nspnfv : number of first-variational spin components : 1 normal case, 2 for[] [53] Underfull \hbox (badness 10000) in paragraph at lines 2603--2604 Underfull \hbox (badness 10000) in paragraph at lines 2625--2626 Underfull \hbox (badness 10000) in paragraph at lines 2647--2648 [54] Overfull \hbox (9.02896pt too wide) in paragraph at lines 2684--2684 [] \OT1/cmtt/m/n/10.95 lspl : spatial rotation element in lattice point gro up for each symmetry[] Underfull \hbox (badness 10000) in paragraph at lines 2685--2686 [55] Underfull \hbox (badness 10000) in paragraph at lines 2713--2714 [56] Underfull \hbox (badness 10000) in paragraph at lines 2746--2747 Underfull \hbox (badness 10000) in paragraph at lines 2775--2776 [57] [58] Underfull \hbox (badness 10000) in paragraph at lines 2853--2854 Underfull \hbox (badness 10000) in paragraph at lines 2875--2876 [59] Underfull \hbox (badness 10000) in paragraph at lines 2899--2900 Underfull \hbox (badness 10000) in paragraph at lines 2924--2925 [60] Underfull \hbox (badness 10000) in paragraph at lines 2945--2946 Underfull \hbox (badness 10000) in paragraph at lines 2970--2971 Underfull \hbox (badness 10000) in paragraph at lines 2992--2993 [61] Underfull \hbox (badness 10000) in paragraph at lines 3012--3013 [62] Underfull \hbox (badness 10000) in paragraph at lines 3042--3043 Underfull \hbox (badness 10000) in paragraph at lines 3069--3070 [63] Underfull \hbox (badness 10000) in paragraph at lines 3100--3101 Underfull \hbox (badness 10000) in paragraph at lines 3134--3135 [64] Underfull \hbox (badness 10000) in paragraph at lines 3157--3158 Underfull \hbox (badness 10000) in paragraph at lines 3179--3180 [65] Underfull \hbox (badness 10000) in paragraph at lines 3199--3200 Overfull \hbox (32.02371pt too wide) in paragraph at lines 3235--3235 [] \OT1/cmtt/m/n/10.95 pure subroutine gengkvec(ngv,ivg,vgc,vkl,vkc,gkmax,ngkma x,ngk,igkig,vgkl,vgkc, & [66] Underfull \hbox (badness 10000) in paragraph at lines 3248--3249 Underfull \hbox (badness 10000) in paragraph at lines 3269--3270 [67] Underfull \hbox (badness 10000) in paragraph at lines 3293--3294 Underfull \hbox (badness 10000) in paragraph at lines 3318--3319 [68] Overfull \hbox (26.27502pt too wide) in paragraph at lines 3343--3343 [] \OT1/cmtt/m/n/10.95 first-variational basis; second-variational otherwise (in,logical)[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3343--3343 [] \OT1/cmtt/m/n/10.95 tvclvr : .true. if the non-local Coulomb potential f rom the core states is[] Underfull \hbox (badness 10000) in paragraph at lines 3344--3345 Underfull \hbox (badness 10000) in paragraph at lines 3363--3364 [69] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3396--3396 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,inte ger(ngkmax,nspnfv))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3396--3396 [] \OT1/cmtt/m/n/10.95 vgpc : G+p-vectors in Cartesian coordinates (in,rea l(3,ngkmax,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 3397--3398 Overfull \hbox (14.77765pt too wide) in paragraph at lines 3423--3423 [] \OT1/cmtt/m/n/10.95 subroutine genppts(tfbz,nsym,sym,ngridp,npptnr,epslat,bv ec,boxl,nppt,ipvip, & Overfull \hbox (32.02371pt too wide) in paragraph at lines 3449--3449 [] \OT1/cmtt/m/n/10.95 tfbz : .true. if vpl and vpc should be mapped to the first Brillouin zone Overfull \hbox (26.27502pt too wide) in paragraph at lines 3449--3449 [] \OT1/cmtt/m/n/10.95 nsym : number of point group symmetries used for reduction, set to 1 for[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3449--3449 [] \OT1/cmtt/m/n/10.95 npptnr : number of non-reduced p-points: ngridp(1)* ngridp(2)*ngridp(3)[] [70] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3449--3449 [] \OT1/cmtt/m/n/10.95 boxl : corners of box containing p-points in latt ice coordinates, the[] Underfull \hbox (badness 10000) in paragraph at lines 3450--3451 [71] Underfull \hbox (badness 10000) in paragraph at lines 3488--3489 Underfull \hbox (badness 10000) in paragraph at lines 3519--3520 [72] Underfull \hbox (badness 10000) in paragraph at lines 3541--3542 Underfull \hbox (badness 10000) in paragraph at lines 3563--3564 [73] Underfull \hbox (badness 10000) in paragraph at lines 3583--3584 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3615--3615 [] \OT1/cmtt/m/n/10.95 jlgqr : spherical Bessel functions evaluated on the coarse radial mesh for[] Overfull \hbox (14.77765pt too wide) in paragraph at lines 3615--3615 [] \OT1/cmtt/m/n/10.95 ylmgq : spherical harmonics of the G+q-vectors (in, complex(lmmaxo,ngrf))[] Underfull \hbox (badness 10000) in paragraph at lines 3616--3617 [74] Underfull \hbox (badness 10000) in paragraph at lines 3666--3667 Overfull \hbox (2.63586pt too wide) in paragraph at lines 3669--3671 []\OT1/cmr/m/n/10.95 Calculates the Coulomb ma-trix el-e-ments of the type $\OM L/cmm/m/it/10.95 V\OT1/cmr/m/n/10.95 (1\OML/cmm/m/it/10.95 ; \OT1/cmr/m/n/10.95 2\OML/cmm/m/it/10.95 ; \OT1/cmr/m/n/10.95 2\OML/cmm/m/it/10.95 ; \OT1/cmr/m/n/ 10.95 1)$. See the rou-tine \OT1/cmtt/m/n/10.95 genvcl1223 [75] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3686--3686 [] \OT1/cmtt/m/n/10.95 vcl1223 : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3687--3688 Underfull \hbox (badness 10000) in paragraph at lines 3714--3715 [76] Underfull \hbox (badness 10000) in paragraph at lines 3735--3736 Underfull \hbox (badness 10000) in paragraph at lines 3758--3759 Overfull \hbox (14.77765pt too wide) in paragraph at lines 3777--3777 [] \OT1/cmtt/m/n/10.95 subroutine genwfsv(tsh,tgp,nst,idx,ngdg,igf,ngp,igpig,ap walm,evecfv,evecsv, & [77] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 tsh : .true. if wfmt should be in spherical harmo nic basis, otherwise Overfull \hbox (3.28027pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 tgp : .true. if wfir should be in G+p-space, othe rwise in real-space[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,int eger(ngkmax,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (in,complex( nmatmax,nstfv,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 wfmt : muffin-tin part of the wavefunctions for ev ery state in spherical[] Underfull \hbox (badness 10000) in paragraph at lines 3800--3801 [78] Underfull \hbox (badness 10000) in paragraph at lines 3823--3824 Overfull \hbox (20.52634pt too wide) in paragraph at lines 3844--3844 [] \OT1/cmtt/m/n/10.95 t4pil : .true. if the plane wave prefactor should be included (in,logical) Underfull \hbox (badness 10000) in paragraph at lines 3845--3846 [79] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3879--3879 [] \OT1/cmtt/m/n/10.95 vgpl : G+p-vectors in lattice coordinates (out,rea l(3,ngkmax,nspnfv))[] Overfull \hbox (26.27502pt too wide) in paragraph at lines 3879--3879 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (out,complex (nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 3880--3881 Underfull \hbox (badness 10000) in paragraph at lines 3904--3905 [80] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3924--3924 [] \OT1/cmtt/m/n/10.95 vcl1223 : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3925--3926 Underfull \hbox (badness 10000) in paragraph at lines 3944--3945 Underfull \hbox (badness 10000) in paragraph at lines 3962--3963 [81] Underfull \hbox (badness 10000) in paragraph at lines 3980--3981 Underfull \hbox (badness 10000) in paragraph at lines 4007--4008 [82] Underfull \hbox (badness 10000) in paragraph at lines 4033--4034 Overfull \hbox (26.27502pt too wide) in paragraph at lines 4055--4055 [] \OT1/cmtt/m/n/10.95 subroutine ggair_sp_2b(g2up,g2dn,gvup,gvdn,vxup,vxdn,vcu p,vcdn,dxdgu2,dxdgd2, & Underfull \hbox (badness 10000) in paragraph at lines 4057--4058 [83] Underfull \hbox (badness 10000) in paragraph at lines 4076--4077 Underfull \hbox (badness 10000) in paragraph at lines 4094--4095 Underfull \hbox (badness 10000) in paragraph at lines 4112--4113 [84] Overfull \hbox (26.27502pt too wide) in paragraph at lines 4128--4128 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_1(is,np,rhoup,rhodn,grho,gup,gdn,g2u p,g2dn,g3rho,g3up,g3dn) Underfull \hbox (badness 10000) in paragraph at lines 4142--4143 Overfull \hbox (14.77765pt too wide) in paragraph at lines 4167--4167 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_2a(is,np,rhoup,rhodn,g2up,g2dn,gvup, gvdn,gup2,gdn2,gupdn) Underfull \hbox (badness 10000) in paragraph at lines 4169--4170 [85] Overfull \hbox (20.52634pt too wide) in paragraph at lines 4221--4221 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_2b(is,np,g2up,g2dn,gvup,gvdn,vxup,vx dn,vcup,vcdn,dxdgu2, & Underfull \hbox (badness 10000) in paragraph at lines 4223--4224 [86] Underfull \hbox (badness 10000) in paragraph at lines 4249--4250 Overfull \hbox (20.52634pt too wide) in paragraph at lines 4279--4279 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the m uffin-tin (in,integer)[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 4279--4279 [] \OT1/cmtt/m/n/10.95 wcr : weights for spline coefficients on radial m esh (in,real(12,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 4280--4281 [87] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4311--4311 [] \OT1/cmtt/m/n/10.95 wcr : weights for spline coefficients on radial me sh (in,real(12,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 4312--4313 [88] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4342--4342 [] \OT1/cmtt/m/n/10.95 wcr : weights for spline coefficients on radial me sh (in,real(12,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 4343--4344 [89] Underfull \hbox (badness 10000) in paragraph at lines 4387--4388 Underfull \hbox (badness 10000) in paragraph at lines 4412--4413 [90] Underfull \hbox (badness 10000) in paragraph at lines 4444--4445 Overfull \hbox (20.52634pt too wide) in paragraph at lines 4471--4471 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] Underfull \hbox (badness 10000) in paragraph at lines 4472--4473 [91] Underfull \hbox (badness 10000) in paragraph at lines 4495--4496 [92] Underfull \hbox (badness 10000) in paragraph at lines 4519--4520 Underfull \hbox (badness 10000) in paragraph at lines 4550--4551 [93] Underfull \hbox (badness 10000) in paragraph at lines 4570--4571 Underfull \hbox (badness 10000) in paragraph at lines 4598--4599 [94] Underfull \hbox (badness 10000) in paragraph at lines 4623--4624 Underfull \hbox (badness 10000) in paragraph at lines 4646--4647 [95] Underfull \hbox (badness 10000) in paragraph at lines 4669--4670 Underfull \hbox (badness 10000) in paragraph at lines 4700--4701 [96] Overfull \hbox (20.52634pt too wide) in paragraph at lines 4734--4734 [] \OT1/cmtt/m/n/10.95 subroutine xcifc_libxc(xctype,n,tempa,rho,rhoup,rhodn,g2 rho,g2up,g2dn,grho2, & Overfull \hbox (32.02371pt too wide) in paragraph at lines 4734--4734 [] \OT1/cmtt/m/n/10.95 gup2,gdn2,gupdn,tau,tauup,taudn,ex,ec,vx,vc,vxup,vxdn,v cup,vcdn,dxdgr2,dxdgu2,&[] Overfull \hbox (32.02371pt too wide) in paragraph at lines 4734--4734 [] \OT1/cmtt/m/n/10.95 dxdgd2,dxdgud,dcdgr2,dcdgu2,dcdgd2,dcdgud,dxdg2r,dxdg2u ,dxdg2d,dcdg2r,dcdg2u, &[] [97] Underfull \hbox (badness 10000) in paragraph at lines 4780--4781 Overfull \hbox (6.55638pt too wide) in paragraph at lines 4783--4787 \OT1/cmtt/m/n/10.95 http://www.tddft.org/programs/octopus/wiki/index.php/Libxc\ OT1/cmr/m/n/10.95 . The sec-ond and third Underfull \hbox (badness 10000) in paragraph at lines 4808--4809 [98] Underfull \hbox (badness 10000) in paragraph at lines 4832--4833 Underfull \hbox (badness 10000) in paragraph at lines 4856--4857 [99] Underfull \hbox (badness 10000) in paragraph at lines 4893--4894 [100] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4941--4941 [] \OT1/cmtt/m/n/10.95 nu : current output vector as well as the next input vector of the[] Underfull \hbox (badness 10000) in paragraph at lines 4942--4943 [101] Underfull \hbox (badness 10000) in paragraph at lines 4972--4973 Overfull \hbox (26.27502pt too wide) in paragraph at lines 4998--4998 [] \OT1/cmtt/m/n/10.95 subroutine xcifc(xctype,n,tempa,rho,rhoup,rhodn,grho,gup ,gdn,g2rho,g2up,g2dn, & Overfull \hbox (26.27502pt too wide) in paragraph at lines 4998--4998 [] \OT1/cmtt/m/n/10.95 g3rho,g3up,g3dn,grho2,gup2,gdn2,gupdn,tau,tauup,taudn,e x,ec,vx,vc,vxup,vxdn, &[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 4998--4998 [] \OT1/cmtt/m/n/10.95 vcup,vcdn,dxdgr2,dxdgu2,dxdgd2,dxdgud,dcdgr2,dcdgu2,dcd gd2,dcdgud,dxdg2r, &[] Overfull \hbox (32.02371pt too wide) in paragraph at lines 4998--4998 [] \OT1/cmtt/m/n/10.95 dxdg2u,dxdg2d,dcdg2r,dcdg2u,dcdg2d,wx,wxup,wxdn,wc,wcup ,wcdn,dtdr,dtdru,dtdrd,&[] [102] [103] Underfull \hbox (badness 10000) in paragraph at lines 5058--5059 Underfull \hbox (badness 10000) in paragraph at lines 5092--5093 [104] Underfull \hbox (badness 10000) in paragraph at lines 5116--5117 Underfull \hbox (badness 10000) in paragraph at lines 5137--5138 Overfull \hbox (32.02371pt too wide) in paragraph at lines 5149--5149 [] \OT1/cmtt/m/n/10.95 Contact hyperfine field evaluated at the nuclear rad ius rather than averaged[] [105] Underfull \hbox (badness 10000) in paragraph at lines 5163--5164 Underfull \hbox (badness 10000) in paragraph at lines 5184--5185 [106] Underfull \hbox (badness 10000) in paragraph at lines 5207--5208 Underfull \hbox (badness 10000) in paragraph at lines 5237--5238 [107] Underfull \hbox (badness 10000) in paragraph at lines 5262--5263 Underfull \hbox (badness 10000) in paragraph at lines 5285--5286 [108] Underfull \hbox (badness 10000) in paragraph at lines 5317--5318 Underfull \hbox (badness 10000) in paragraph at lines 5343--5344 [109] Overfull \hbox (26.27502pt too wide) in paragraph at lines 5368--5368 [] \OT1/cmtt/m/n/10.95 tproj : .true. if nf=3 and the vector function shoul d be projected onto the Underfull \hbox (badness 10000) in paragraph at lines 5369--5370 Underfull \hbox (badness 10000) in paragraph at lines 5393--5394 [110] Overfull \hbox (3.28027pt too wide) in paragraph at lines 5420--5420 [] \OT1/cmtt/m/n/10.95 vpl : connecting point vectors in lattice coordinat es (out,real(3,np))[] Underfull \hbox (badness 10000) in paragraph at lines 5421--5422 Underfull \hbox (badness 10000) in paragraph at lines 5449--5450 [111] Underfull \hbox (badness 10000) in paragraph at lines 5479--5480 Underfull \hbox (badness 10000) in paragraph at lines 5501--5502 [112] Underfull \hbox (badness 10000) in paragraph at lines 5524--5525 Overfull \hbox (0.21347pt too wide) in paragraph at lines 5527--5530 []\OT1/cmr/m/n/10.95 Computes the Kohn-Sham ef-fec-tive po-ten-tial by adding t o-gether the Coulomb and exchange- Underfull \hbox (badness 10000) in paragraph at lines 5548--5549 [113] Underfull \hbox (badness 10000) in paragraph at lines 5572--5573 Overfull \hbox (26.27502pt too wide) in paragraph at lines 5590--5590 [] \OT1/cmtt/m/n/10.95 subroutine potxc(tsh,xctype_,rhomt_,rhoir_,magmt_,magir_ ,taumt_,tauir_,exmt_, & Underfull \hbox (badness 10000) in paragraph at lines 5593--5594 [114] Underfull \hbox (badness 10000) in paragraph at lines 5618--5619 Underfull \hbox (badness 10000) in paragraph at lines 5637--5638 [115] Underfull \hbox (badness 10000) in paragraph at lines 5658--5659 Underfull \hbox (badness 10000) in paragraph at lines 5677--5678 Underfull \hbox (badness 10000) in paragraph at lines 5697--5698 [116] Underfull \hbox (badness 10000) in paragraph at lines 5717--5718 Underfull \hbox (badness 10000) in paragraph at lines 5737--5738 [117] Underfull \hbox (badness 10000) in paragraph at lines 5757--5758 Underfull \hbox (badness 10000) in paragraph at lines 5777--5778 Underfull \hbox (badness 10000) in paragraph at lines 5795--5796 [118] Underfull \hbox (badness 10000) in paragraph at lines 5829--5830 [119] Underfull \hbox (badness 10000) in paragraph at lines 5864--5865 [120] Underfull \hbox (badness 10000) in paragraph at lines 5899--5900 Overfull \hbox (0.44627pt too wide) in paragraph at lines 5902--5904 []\OT1/cmr/m/n/10.95 Calculates the deriva-tive of the to-tal en-ergy w.r.t. th e second-variational co-ef-fi-cients \OT1/cmtt/m/n/10.95 evecsv\OT1/cmr/m/n/10. 95 . Underfull \hbox (badness 10000) in paragraph at lines 5921--5922 Underfull \hbox (badness 10000) in paragraph at lines 5942--5943 [121] Underfull \hbox (badness 10000) in paragraph at lines 5963--5964 Underfull \hbox (badness 10000) in paragraph at lines 5984--5985 [122] Underfull \hbox (badness 10000) in paragraph at lines 6005--6006 Underfull \hbox (badness 10000) in paragraph at lines 6026--6027 [123] Underfull \hbox (badness 10000) in paragraph at lines 6046--6047 Underfull \hbox (badness 10000) in paragraph at lines 6065--6066 Underfull \hbox (badness 10000) in paragraph at lines 6086--6087 [124] Underfull \hbox (badness 10000) in paragraph at lines 6108--6109 Underfull \hbox (badness 10000) in paragraph at lines 6128--6129 [125] Underfull \hbox (badness 10000) in paragraph at lines 6149--6150 Underfull \hbox (badness 10000) in paragraph at lines 6170--6171 Underfull \hbox (badness 10000) in paragraph at lines 6191--6192 [126] Underfull \hbox (badness 10000) in paragraph at lines 6218--6219 Overfull \hbox (5.17302pt too wide) in paragraph at lines 6221--6223 []\OT1/cmr/m/n/10.95 Writes the deriva-tive of to-tal en-ergy with re-spect to oc-cu-pa-tion num-bers to file \OT1/cmtt/m/n/10.95 RDM[]DEDN.OUT\OT1/cmr/m/n/10 .95 . Underfull \hbox (badness 10000) in paragraph at lines 6239--6240 [127] Underfull \hbox (badness 10000) in paragraph at lines 6257--6258 [128] Underfull \hbox (badness 10000) in paragraph at lines 6290--6291 Underfull \hbox (badness 10000) in paragraph at lines 6310--6311 [129] Underfull \hbox (badness 10000) in paragraph at lines 6332--6333 Overfull \hbox (3.28027pt too wide) in paragraph at lines 6364--6364 [] \OT1/cmtt/m/n/10.95 rfir1 : first real interstitial function in real-spa ce (in,real(ngtot))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 6364--6364 [] \OT1/cmtt/m/n/10.95 rfmt2 : second function in real spherical harmonics for all muffin-tins[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6364--6364 [] \OT1/cmtt/m/n/10.95 rfir2 : second real interstitial function in real-sp ace (in,real(ngtot))[] Underfull \hbox (badness 10000) in paragraph at lines 6365--6366 [130] Underfull \hbox (badness 10000) in paragraph at lines 6394--6395 Underfull \hbox (badness 10000) in paragraph at lines 6417--6418 [131] Underfull \hbox (badness 10000) in paragraph at lines 6440--6441 Overfull \hbox (9.02896pt too wide) in paragraph at lines 6464--6464 [] \OT1/cmtt/m/n/10.95 nri : number of radial mesh points on the inner pa rt of the muffin-tin[] Underfull \hbox (badness 10000) in paragraph at lines 6465--6466 [132] Underfull \hbox (badness 10000) in paragraph at lines 6489--6490 Underfull \hbox (badness 10000) in paragraph at lines 6511--6512 [133] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6541--6541 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,int eger(ngkmax,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 6541--6541 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (in,complex( nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 6542--6543 [134] Underfull \hbox (badness 10000) in paragraph at lines 6573--6574 Underfull \hbox (badness 10000) in paragraph at lines 6592--6593 [135] Underfull \hbox (badness 10000) in paragraph at lines 6615--6616 Underfull \hbox (badness 10000) in paragraph at lines 6638--6639 [136] Underfull \hbox (badness 10000) in paragraph at lines 6673--6674 Underfull \hbox (badness 10000) in paragraph at lines 6725--6726 [137] Underfull \hbox (badness 10000) in paragraph at lines 6752--6753 [138] Overfull \hbox (14.77765pt too wide) in paragraph at lines 6799--6799 [] \OT1/cmtt/m/n/10.95 zflm1 : coefficients of the complex spherical harmon ic expansion for each[] Underfull \hbox (badness 10000) in paragraph at lines 6800--6801 [139] Underfull \hbox (badness 10000) in paragraph at lines 6834--6835 Overfull \hbox (9.02896pt too wide) in paragraph at lines 6873--6873 [] \OT1/cmtt/m/n/10.95 rflm : coefficients of real spherical harmonic expan sion (in,real(ld,n))[] Underfull \hbox (badness 10000) in paragraph at lines 6874--6875 [140] Underfull \hbox (badness 10000) in paragraph at lines 6903--6904 [141] Underfull \hbox (badness 10000) in paragraph at lines 6925--6926 Underfull \hbox (badness 10000) in paragraph at lines 6955--6956 [142] Underfull \hbox (badness 10000) in paragraph at lines 6987--6988 [143] Underfull \hbox (badness 10000) in paragraph at lines 7015--7016 Underfull \hbox (badness 10000) in paragraph at lines 7050--7051 [144] Underfull \hbox (badness 10000) in paragraph at lines 7069--7070 Underfull \hbox (badness 10000) in paragraph at lines 7089--7090 [145] Underfull \hbox (badness 10000) in paragraph at lines 7116--7117 Underfull \hbox (badness 10000) in paragraph at lines 7139--7140 [146] Underfull \hbox (badness 10000) in paragraph at lines 7165--7166 Underfull \hbox (badness 10000) in paragraph at lines 7193--7194 [147] Underfull \hbox (badness 10000) in paragraph at lines 7220--7221 Underfull \hbox (badness 10000) in paragraph at lines 7240--7241 [148] Underfull \hbox (badness 10000) in paragraph at lines 7262--7263 Underfull \hbox (badness 10000) in paragraph at lines 7290--7291 [149] Underfull \hbox (badness 10000) in paragraph at lines 7313--7314 Underfull \hbox (badness 10000) in paragraph at lines 7337--7338 [150] Underfull \hbox (badness 10000) in paragraph at lines 7358--7359 Underfull \hbox (badness 10000) in paragraph at lines 7378--7379 [151] Underfull \hbox (badness 10000) in paragraph at lines 7407--7408 Underfull \hbox (badness 10000) in paragraph at lines 7430--7431 [152] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7468--7468 [] \OT1/cmtt/m/n/10.95 nri : number of radial points on the inner part (in ,integer(nspecies))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7468--7468 [] \OT1/cmtt/m/n/10.95 np : total number of points in each muffin-tin (in ,integer(nspecies))[] Underfull \hbox (badness 10000) in paragraph at lines 7469--7470 Underfull \hbox (badness 10000) in paragraph at lines 7498--7499 [153] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7517--7517 [] \OT1/cmtt/m/n/10.95 subroutine symrvf(tspin,tnc,nr,nri,np,ngdg,ngt,ngv,igf,l d1,rvfmt,ld2,rvfir) Overfull \hbox (3.28027pt too wide) in paragraph at lines 7533--7533 [] \OT1/cmtt/m/n/10.95 nr : number of radial points for each species (in ,integer(nspecies))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 7533--7533 [] \OT1/cmtt/m/n/10.95 nri : number of radial points on the inner part (i n,integer(nspecies))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 7533--7533 [] \OT1/cmtt/m/n/10.95 np : total number of points in each muffin-tin (i n,integer(nspecies))[] Underfull \hbox (badness 10000) in paragraph at lines 7534--7535 [154] Underfull \hbox (badness 10000) in paragraph at lines 7571--7572 Overfull \hbox (14.77765pt too wide) in paragraph at lines 7590--7590 [] \OT1/cmtt/m/n/10.95 vca : vectors in Cartesian coordinates for all atoms (in,real(3,natmtot)) Underfull \hbox (badness 10000) in paragraph at lines 7591--7592 [155] Underfull \hbox (badness 10000) in paragraph at lines 7610--7611 Underfull \hbox (badness 10000) in paragraph at lines 7633--7634 [156] Underfull \hbox (badness 10000) in paragraph at lines 7675--7676 [157] Underfull \hbox (badness 10000) in paragraph at lines 7727--7728 [158] Underfull \hbox (badness 10000) in paragraph at lines 7747--7748 Underfull \hbox (badness 10000) in paragraph at lines 7770--7771 Underfull \hbox (badness 10000) in paragraph at lines 7789--7790 [159] Overfull \hbox (20.52634pt too wide) in paragraph at lines 7822--7822 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] Underfull \hbox (badness 10000) in paragraph at lines 7823--7824 [160] Underfull \hbox (badness 10000) in paragraph at lines 7859--7860 Underfull \hbox (badness 10000) in paragraph at lines 7889--7890 [161] Underfull \hbox (badness 10000) in paragraph at lines 7911--7912 Underfull \hbox (badness 10000) in paragraph at lines 7937--7938 [162] Underfull \hbox (badness 10000) in paragraph at lines 7956--7957 Underfull \hbox (badness 10000) in paragraph at lines 7974--7975 [163] Underfull \hbox (badness 10000) in paragraph at lines 7996--7997 Underfull \hbox (badness 10000) in paragraph at lines 8016--8017 [164] Underfull \hbox (badness 10000) in paragraph at lines 8040--8041 Underfull \hbox (badness 10000) in paragraph at lines 8060--8061 [165] Underfull \hbox (badness 10000) in paragraph at lines 8079--8080 Overfull \hbox (16.14984pt too wide) in paragraph at lines 8082--8084 []\OT1/cmr/m/n/10.95 Writes the lin-eari-sa-tion en-er-gies for all APW and loc al-orbital func-tions to the file \OT1/cmtt/m/n/10.95 LINENGY.OUT\OT1/cmr/m/n/1 0.95 . Underfull \hbox (badness 10000) in paragraph at lines 8099--8100 Underfull \hbox (badness 10000) in paragraph at lines 8119--8120 [166] Underfull \hbox (badness 10000) in paragraph at lines 8139--8140 Underfull \hbox (badness 10000) in paragraph at lines 8162--8163 [167] Underfull \hbox (badness 10000) in paragraph at lines 8190--8191 Underfull \hbox (badness 10000) in paragraph at lines 8214--8215 [168] Underfull \hbox (badness 10000) in paragraph at lines 8235--8236 Underfull \hbox (badness 10000) in paragraph at lines 8263--8264 [169] Underfull \hbox (badness 10000) in paragraph at lines 8289--8290 Underfull \hbox (badness 10000) in paragraph at lines 8310--8311 [170] Underfull \hbox (badness 10000) in paragraph at lines 8330--8331 Underfull \hbox (badness 10000) in paragraph at lines 8352--8353 [171] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8372--8372 [] \OT1/cmtt/m/n/10.95 subroutine xc_pbe(n,kappa,mu,beta,rhoup,rhodn,grho,gup,g dn,g2up,g2dn,g3rho, & Underfull \hbox (badness 10000) in paragraph at lines 8393--8394 [172] Underfull \hbox (badness 10000) in paragraph at lines 8425--8426 Underfull \hbox (badness 10000) in paragraph at lines 8451--8452 [173] Underfull \hbox (badness 10000) in paragraph at lines 8480--8481 Underfull \hbox (badness 10000) in paragraph at lines 8504--8505 [174] Underfull \hbox (badness 10000) in paragraph at lines 8527--8528 Overfull \hbox (3.28027pt too wide) in paragraph at lines 8555--8555 [] \OT1/cmtt/m/n/10.95 dy : rotation matrix for complex spherical harmoni cs (out,real(ld,*))[] Underfull \hbox (badness 10000) in paragraph at lines 8556--8557 [175] Underfull \hbox (badness 10000) in paragraph at lines 8585--8586 Underfull \hbox (badness 10000) in paragraph at lines 8606--8607 [176] Underfull \hbox (badness 10000) in paragraph at lines 8627--8628 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8651--8651 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8652--8653 [177] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8677--8677 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8678--8679 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8709--8709 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8710--8711 [178] Underfull \hbox (badness 10000) in paragraph at lines 8737--8738 [179] Underfull \hbox (badness 10000) in paragraph at lines 8767--8768 Overfull \hbox (3.28027pt too wide) in paragraph at lines 8799--8799 [] \OT1/cmtt/m/n/10.95 wpr : weights for partial integration on radial m esh (in,real(4,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 8800--8801 [180] Overfull \hbox (32.02371pt too wide) in paragraph at lines 8823--8823 [] \OT1/cmtt/m/n/10.95 subroutine zpotcoul(nr,nri,np,ld1,rl,ngdg,igf,ngp,gpc,gc lgp,ld2,jlgprmt,ylmgp, & Overfull \hbox (14.77765pt too wide) in paragraph at lines 8847--8847 [] \OT1/cmtt/m/n/10.95 nr : number of radial points for each species ( in,integer(nspecies)) Overfull \hbox (14.77765pt too wide) in paragraph at lines 8847--8847 [] \OT1/cmtt/m/n/10.95 jlgprmt : spherical Bessel functions for evergy G+p- vector and muffin-tin[] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8847--8847 [] \OT1/cmtt/m/n/10.95 ylmgp : spherical harmonics of the G+p-vectors (in ,complex(lmmaxo,ngp))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 8847--8847 [] \OT1/cmtt/m/n/10.95 sfacgp : structure factors of the G+p-vectors (in,c omplex(ld2,natmtot))[] Underfull \hbox (badness 10000) in paragraph at lines 8848--8849 [181] [182] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8925--8925 [] \OT1/cmtt/m/n/10.95 rflm : coefficients of real spherical harmonic expan sion (out,real(ld,n))[] Underfull \hbox (badness 10000) in paragraph at lines 8926--8927 [183] (./elk.aux) kpathsea: Running mktexpk --mfmode / --bdpi 600 --mag 1+0/600 --dpi 600 tcrm1095 mkdir: cannot create directory '././nonexistent': Permission denied mktexpk: Running mf-nowin -progname=mf \mode:=ljfour; mag:=1+0/600; nonstopmode; input tcrm1095 This is METAFONT, Version 2.71828182 (TeX Live 2025/dev/Debian) (preloaded base=mf) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/tcrm1095.mf (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/exbase.mf) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/tcrm.mf (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txsymb.mf Ok (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/exaccess.mf Ok) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txpseudo.mf Ok) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txaccent.mf Ok [0] [1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [27] [29]) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txgen.mf Ok [100] [109] [98] [99] [108]) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txsymbol.mf Ok [13] [18] [21] [22] [23] [24] [25] [26] [28] [31] [32] [36] [39] [44] [45] [46] [42] [47] [60] [61] [62] [77] [79] [87] [110] [91] [93] [94] [95] [96] [126] [127] [128] [129] [130] [131] [132] [133] [134] [135] [136] [137] [138] [139] [140] [141] [142] [143] [144] [145] [146] [147] [148] [149] [150] [151] [152] [153] [154] [155] [156] [157] [158] [159] [160] [161] [162] [163] [164] [165] [166] [167] [168] [169] [171] [172] [173] [174] [175] [177] [176] [180] [181] [182] [183] [184] [187] [191] [214] [246]) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txromod.mf Ok [48] [49] [50] [51] [52] [53] [54] [55] [56] [57]) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txrsuper.mf Ok [185] [178] [179] [170] [186]) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txrfract.mf Ok [188] [189] [190]) ) ) ) (some charht values had to be adjusted by as much as 0.06952pt) Font metrics written on tcrm1095.tfm. Output written on tcrm1095.600gf (128 characters, 25592 bytes). Transcript written on tcrm1095.log. mktexpk: /tmp/texfonts/pk/ljfour/jknappen/ec/tcrm1095.600pk: successfully generated. LaTeX Warning: Label(s) may have changed. Rerun to get cross-references right. Package rerunfilecheck Warning: File `elk.out' has changed. (rerunfilecheck) Rerun to get outlines right (rerunfilecheck) or use package `bookmark'. ) (see the transcript file for additional information) Output written on elk.pdf (183 pages, 673625 bytes). Transcript written on elk.log. This is pdfTeX, Version 3.141592653-2.6-1.40.26 (TeX Live 2025/dev/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./elk.tex LaTeX2e <2024-06-01> patch level 2 L3 programming layer <2024-05-27> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2024/02/08 v1.4n Standard LaTeX document class (/usr/share/texlive/texmf-dist/tex/latex/base/size11.clo)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsmath.sty For additional information on amsmath, use the `?' option. (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amstext.sty (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsgen.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsbsy.sty) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsopn.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amssymb.sty (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amsfonts.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/epsfig.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphicx.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/keyval.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphics.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/trig.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/graphics.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics-def/pdftex.def)))) (/usr/share/texlive/texmf-dist/tex/latex/tools/tabularx.sty (/usr/share/texlive/texmf-dist/tex/latex/tools/array.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/color.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/color.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics/mathcolor.ltx)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hyperref.sty (/usr/share/texlive/texmf-dist/tex/generic/iftex/iftex.sty) (/usr/share/texlive/texmf-dist/tex/latex/kvsetkeys/kvsetkeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/kvdefinekeys/kvdefinekeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdfescape/pdfescape.sty (/usr/share/texlive/texmf-dist/tex/generic/ltxcmds/ltxcmds.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdftexcmds/pdftexcmds.sty (/usr/share/texlive/texmf-dist/tex/generic/infwarerr/infwarerr.sty))) (/usr/share/texlive/texmf-dist/tex/latex/hycolor/hycolor.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/nameref.sty (/usr/share/texlive/texmf-dist/tex/latex/refcount/refcount.sty) (/usr/share/texlive/texmf-dist/tex/generic/gettitlestring/gettitlestring.sty (/usr/share/texlive/texmf-dist/tex/latex/kvoptions/kvoptions.sty))) (/usr/share/texlive/texmf-dist/tex/latex/etoolbox/etoolbox.sty) (/usr/share/texlive/texmf-dist/tex/generic/stringenc/stringenc.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/pd1enc.def) (/usr/share/texlive/texmf-dist/tex/generic/intcalc/intcalc.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/puenc.def) (/usr/share/texlive/texmf-dist/tex/latex/url/url.sty) (/usr/share/texlive/texmf-dist/tex/generic/bitset/bitset.sty (/usr/share/texlive/texmf-dist/tex/generic/bigintcalc/bigintcalc.sty)) (/usr/share/texlive/texmf-dist/tex/latex/base/atbegshi-ltx.sty)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hpdftex.def (/usr/share/texlive/texmf-dist/tex/latex/base/atveryend-ltx.sty) (/usr/share/texlive/texmf-dist/tex/latex/rerunfilecheck/rerunfilecheck.sty (/usr/share/texlive/texmf-dist/tex/generic/uniquecounter/uniquecounter.sty))) (/usr/share/texlive/texmf-dist/tex/latex/l3backend/l3backend-pdftex.def) (./elk.aux) (/usr/share/texlive/texmf-dist/tex/context/base/mkii/supp-pdf.mkii [Loading MPS to PDF converter (version 2006.09.02).] ) (/usr/share/texlive/texmf-dist/tex/latex/epstopdf-pkg/epstopdf-base.sty (/usr/share/texlive/texmf-dist/tex/latex/latexconfig/epstopdf-sys.cfg)) (./elk.out) (./elk.out) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsa.fd) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsb.fd) Overfull \hbox (17.24997pt too wide) in paragraph at lines 73--75 [][][][] Underfull \hbox (badness 10000) in paragraph at lines 73--75 [1{/var/lib/texmf/fonts/map/pdftex/updmap/pdftex.map} <./elk_silhouette.pdf>] (./elk.toc [2] [3] [4] [5] [6] [7] [8] [9]) [10] [11] [12] [13] [14] Overfull \hbox (14.77765pt too wide) in paragraph at lines 323--323 [] \OT1/cmtt/m/n/10.95 1 0 1 2.00000 T : nsp, ls p, ksp, occsp, spcore[] [15] [16] [17] [18] [19] [20] [21] Overfull \hbox (0.95221pt too wide) in paragraph at lines 677--681 []\OT1/cmr/m/n/10.95 If \OT1/cmtt/m/n/10.95 fracinr \OT1/cmr/m/n/10.95 is neg-a -tive then the frac-tion is de-ter-mined from $\OML/cmm/m/it/10.95 f \OT1/cmr/m /n/10.95 = []$ [22] [23] [24] [25] [26] [27] [28] [29] [30] [31] [32] [33] [34] Underfull \hbox (badness 1924) in paragraph at lines 1383--1383 []|\OT1/cmr/m/n/10.95 Generate the RPA in-verse di-elec-tric func-tion with lo- cal con-tri-bu-tions [35] [36] [37] [38] Overfull \hbox (13.04211pt too wide) in paragraph at lines 1536--1539 []\OT1/cmr/m/n/10.95 When this vari-able is \OT1/cmtt/m/n/10.95 .true.\OT1/cmr/ m/n/10.95 , the screened in-ter-ac-tion used in a $\OML/cmm/m/it/10.95 GW$ \OT1 /cmr/m/n/10.95 cal-cu-la-tion $\OML/cmm/m/it/10.95 W\OT1/cmr/m/n/10.95 (\OT1/cm r/bx/n/10.95 G\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 G[]\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 q\OML/cmm/m/it/10.95 ; !\OT1/cmr/m/n/10.95 )$ [39] [40] [41] [42] [43] Underfull \hbox (badness 10000) in paragraph at lines 1736--1737 Underfull \hbox (badness 10000) in paragraph at lines 1766--1767 [44] Overfull \hbox (26.27502pt too wide) in paragraph at lines 1790--1790 [] \OT1/cmtt/m/n/10.95 subroutine atom(sol,ptnucl,zn,nst,n,l,k,occ,xctype,xcgra d,nr,r,eval,rho,vr,rwf) Overfull \hbox (26.27502pt too wide) in paragraph at lines 1808--1808 [] \OT1/cmtt/m/n/10.95 eval : eigenvalue without rest-mass energy for eac h state (out,real(nst))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 1808--1808 [] \OT1/cmtt/m/n/10.95 rwf : major and minor components of radial wavefu nctions for each state[] Underfull \hbox (badness 10000) in paragraph at lines 1809--1810 [45] Underfull \hbox (badness 10000) in paragraph at lines 1833--1834 Underfull \hbox (badness 10000) in paragraph at lines 1861--1862 Underfull \hbox (badness 10000) in paragraph at lines 1883--1884 [46] Underfull \hbox (badness 10000) in paragraph at lines 1906--1907 Underfull \hbox (badness 10000) in paragraph at lines 1931--1932 [47] Underfull \hbox (badness 10000) in paragraph at lines 1968--1969 [48] Underfull \hbox (badness 10000) in paragraph at lines 2004--2005 [49] Underfull \hbox (badness 10000) in paragraph at lines 2028--2029 Underfull \hbox (badness 10000) in paragraph at lines 2049--2050 Underfull \hbox (badness 10000) in paragraph at lines 2072--2073 [50] Underfull \hbox (badness 10000) in paragraph at lines 2096--2097 [51] Underfull \hbox (badness 10000) in paragraph at lines 2125--2126 Overfull \hbox (20.52634pt too wide) in paragraph at lines 2154--2154 [] \OT1/cmtt/m/n/10.95 tocc : .true. if just the occupied orbitals should contribute to the DOS[] Underfull \hbox (badness 10000) in paragraph at lines 2155--2156 [52] Underfull \hbox (badness 10000) in paragraph at lines 2188--2189 [53] Underfull \hbox (badness 10000) in paragraph at lines 2214--2215 Underfull \hbox (badness 10000) in paragraph at lines 2251--2252 [54] Underfull \hbox (badness 10000) in paragraph at lines 2274--2275 [55] Underfull \hbox (badness 10000) in paragraph at lines 2338--2339 [56] Underfull \hbox (badness 10000) in paragraph at lines 2358--2359 Underfull \hbox (badness 10000) in paragraph at lines 2379--2380 Underfull \hbox (badness 10000) in paragraph at lines 2404--2405 [57] Underfull \hbox (badness 10000) in paragraph at lines 2433--2434 [58] Underfull \hbox (badness 10000) in paragraph at lines 2461--2462 Underfull \hbox (badness 10000) in paragraph at lines 2486--2487 [59] Underfull \hbox (badness 10000) in paragraph at lines 2509--2510 Overfull \hbox (32.02371pt too wide) in paragraph at lines 2540--2540 [] \OT1/cmtt/m/n/10.95 demax : maximum allowed change from the input energy ; enforced only if e < 0[] Underfull \hbox (badness 10000) in paragraph at lines 2541--2542 [60] Underfull \hbox (badness 10000) in paragraph at lines 2573--2574 Overfull \hbox (20.52634pt too wide) in paragraph at lines 2602--2602 [] \OT1/cmtt/m/n/10.95 nspnfv : number of first-variational spin components : 1 normal case, 2 for[] [61] Underfull \hbox (badness 10000) in paragraph at lines 2603--2604 Underfull \hbox (badness 10000) in paragraph at lines 2625--2626 Underfull \hbox (badness 10000) in paragraph at lines 2647--2648 [62] Overfull \hbox (9.02896pt too wide) in paragraph at lines 2684--2684 [] \OT1/cmtt/m/n/10.95 lspl : spatial rotation element in lattice point gro up for each symmetry[] Underfull \hbox (badness 10000) in paragraph at lines 2685--2686 [63] Underfull \hbox (badness 10000) in paragraph at lines 2713--2714 [64] Underfull \hbox (badness 10000) in paragraph at lines 2746--2747 Underfull \hbox (badness 10000) in paragraph at lines 2775--2776 [65] [66] Underfull \hbox (badness 10000) in paragraph at lines 2853--2854 Underfull \hbox (badness 10000) in paragraph at lines 2875--2876 [67] Underfull \hbox (badness 10000) in paragraph at lines 2899--2900 Underfull \hbox (badness 10000) in paragraph at lines 2924--2925 [68] Underfull \hbox (badness 10000) in paragraph at lines 2945--2946 Underfull \hbox (badness 10000) in paragraph at lines 2970--2971 Underfull \hbox (badness 10000) in paragraph at lines 2992--2993 [69] Underfull \hbox (badness 10000) in paragraph at lines 3012--3013 [70] Underfull \hbox (badness 10000) in paragraph at lines 3042--3043 Underfull \hbox (badness 10000) in paragraph at lines 3069--3070 [71] Underfull \hbox (badness 10000) in paragraph at lines 3100--3101 Underfull \hbox (badness 10000) in paragraph at lines 3134--3135 [72] Underfull \hbox (badness 10000) in paragraph at lines 3157--3158 Underfull \hbox (badness 10000) in paragraph at lines 3179--3180 [73] Underfull \hbox (badness 10000) in paragraph at lines 3199--3200 Overfull \hbox (32.02371pt too wide) in paragraph at lines 3235--3235 [] \OT1/cmtt/m/n/10.95 pure subroutine gengkvec(ngv,ivg,vgc,vkl,vkc,gkmax,ngkma x,ngk,igkig,vgkl,vgkc, & [74] Underfull \hbox (badness 10000) in paragraph at lines 3248--3249 Underfull \hbox (badness 10000) in paragraph at lines 3269--3270 [75] Underfull \hbox (badness 10000) in paragraph at lines 3293--3294 Underfull \hbox (badness 10000) in paragraph at lines 3318--3319 [76] Overfull \hbox (26.27502pt too wide) in paragraph at lines 3343--3343 [] \OT1/cmtt/m/n/10.95 first-variational basis; second-variational otherwise (in,logical)[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3343--3343 [] \OT1/cmtt/m/n/10.95 tvclvr : .true. if the non-local Coulomb potential f rom the core states is[] Underfull \hbox (badness 10000) in paragraph at lines 3344--3345 Underfull \hbox (badness 10000) in paragraph at lines 3363--3364 [77] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3396--3396 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,inte ger(ngkmax,nspnfv))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3396--3396 [] \OT1/cmtt/m/n/10.95 vgpc : G+p-vectors in Cartesian coordinates (in,rea l(3,ngkmax,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 3397--3398 Overfull \hbox (14.77765pt too wide) in paragraph at lines 3423--3423 [] \OT1/cmtt/m/n/10.95 subroutine genppts(tfbz,nsym,sym,ngridp,npptnr,epslat,bv ec,boxl,nppt,ipvip, & Overfull \hbox (32.02371pt too wide) in paragraph at lines 3449--3449 [] \OT1/cmtt/m/n/10.95 tfbz : .true. if vpl and vpc should be mapped to the first Brillouin zone Overfull \hbox (26.27502pt too wide) in paragraph at lines 3449--3449 [] \OT1/cmtt/m/n/10.95 nsym : number of point group symmetries used for reduction, set to 1 for[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3449--3449 [] \OT1/cmtt/m/n/10.95 npptnr : number of non-reduced p-points: ngridp(1)* ngridp(2)*ngridp(3)[] [78] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3449--3449 [] \OT1/cmtt/m/n/10.95 boxl : corners of box containing p-points in latt ice coordinates, the[] Underfull \hbox (badness 10000) in paragraph at lines 3450--3451 [79] Underfull \hbox (badness 10000) in paragraph at lines 3488--3489 Underfull \hbox (badness 10000) in paragraph at lines 3519--3520 [80] Underfull \hbox (badness 10000) in paragraph at lines 3541--3542 Underfull \hbox (badness 10000) in paragraph at lines 3563--3564 [81] Underfull \hbox (badness 10000) in paragraph at lines 3583--3584 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3615--3615 [] \OT1/cmtt/m/n/10.95 jlgqr : spherical Bessel functions evaluated on the coarse radial mesh for[] Overfull \hbox (14.77765pt too wide) in paragraph at lines 3615--3615 [] \OT1/cmtt/m/n/10.95 ylmgq : spherical harmonics of the G+q-vectors (in, complex(lmmaxo,ngrf))[] Underfull \hbox (badness 10000) in paragraph at lines 3616--3617 [82] Underfull \hbox (badness 10000) in paragraph at lines 3666--3667 Overfull \hbox (2.63586pt too wide) in paragraph at lines 3669--3671 []\OT1/cmr/m/n/10.95 Calculates the Coulomb ma-trix el-e-ments of the type $\OM L/cmm/m/it/10.95 V\OT1/cmr/m/n/10.95 (1\OML/cmm/m/it/10.95 ; \OT1/cmr/m/n/10.95 2\OML/cmm/m/it/10.95 ; \OT1/cmr/m/n/10.95 2\OML/cmm/m/it/10.95 ; \OT1/cmr/m/n/ 10.95 1)$. See the rou-tine \OT1/cmtt/m/n/10.95 genvcl1223 [83] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3686--3686 [] \OT1/cmtt/m/n/10.95 vcl1223 : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3687--3688 Underfull \hbox (badness 10000) in paragraph at lines 3714--3715 [84] Underfull \hbox (badness 10000) in paragraph at lines 3735--3736 Underfull \hbox (badness 10000) in paragraph at lines 3758--3759 Overfull \hbox (14.77765pt too wide) in paragraph at lines 3777--3777 [] \OT1/cmtt/m/n/10.95 subroutine genwfsv(tsh,tgp,nst,idx,ngdg,igf,ngp,igpig,ap walm,evecfv,evecsv, & [85] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 tsh : .true. if wfmt should be in spherical harmo nic basis, otherwise Overfull \hbox (3.28027pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 tgp : .true. if wfir should be in G+p-space, othe rwise in real-space[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,int eger(ngkmax,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (in,complex( nmatmax,nstfv,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 wfmt : muffin-tin part of the wavefunctions for ev ery state in spherical[] Underfull \hbox (badness 10000) in paragraph at lines 3800--3801 [86] Underfull \hbox (badness 10000) in paragraph at lines 3823--3824 Overfull \hbox (20.52634pt too wide) in paragraph at lines 3844--3844 [] \OT1/cmtt/m/n/10.95 t4pil : .true. if the plane wave prefactor should be included (in,logical) Underfull \hbox (badness 10000) in paragraph at lines 3845--3846 [87] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3879--3879 [] \OT1/cmtt/m/n/10.95 vgpl : G+p-vectors in lattice coordinates (out,rea l(3,ngkmax,nspnfv))[] Overfull \hbox (26.27502pt too wide) in paragraph at lines 3879--3879 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (out,complex (nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 3880--3881 Underfull \hbox (badness 10000) in paragraph at lines 3904--3905 [88] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3924--3924 [] \OT1/cmtt/m/n/10.95 vcl1223 : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3925--3926 Underfull \hbox (badness 10000) in paragraph at lines 3944--3945 Underfull \hbox (badness 10000) in paragraph at lines 3962--3963 [89] Underfull \hbox (badness 10000) in paragraph at lines 3980--3981 Underfull \hbox (badness 10000) in paragraph at lines 4007--4008 [90] Underfull \hbox (badness 10000) in paragraph at lines 4033--4034 Overfull \hbox (26.27502pt too wide) in paragraph at lines 4055--4055 [] \OT1/cmtt/m/n/10.95 subroutine ggair_sp_2b(g2up,g2dn,gvup,gvdn,vxup,vxdn,vcu p,vcdn,dxdgu2,dxdgd2, & Underfull \hbox (badness 10000) in paragraph at lines 4057--4058 [91] Underfull \hbox (badness 10000) in paragraph at lines 4076--4077 Underfull \hbox (badness 10000) in paragraph at lines 4094--4095 Underfull \hbox (badness 10000) in paragraph at lines 4112--4113 [92] Overfull \hbox (26.27502pt too wide) in paragraph at lines 4128--4128 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_1(is,np,rhoup,rhodn,grho,gup,gdn,g2u p,g2dn,g3rho,g3up,g3dn) Underfull \hbox (badness 10000) in paragraph at lines 4142--4143 Overfull \hbox (14.77765pt too wide) in paragraph at lines 4167--4167 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_2a(is,np,rhoup,rhodn,g2up,g2dn,gvup, gvdn,gup2,gdn2,gupdn) Underfull \hbox (badness 10000) in paragraph at lines 4169--4170 [93] Overfull \hbox (20.52634pt too wide) in paragraph at lines 4221--4221 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_2b(is,np,g2up,g2dn,gvup,gvdn,vxup,vx dn,vcup,vcdn,dxdgu2, & Underfull \hbox (badness 10000) in paragraph at lines 4223--4224 [94] Underfull \hbox (badness 10000) in paragraph at lines 4249--4250 Overfull \hbox (20.52634pt too wide) in paragraph at lines 4279--4279 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the m uffin-tin (in,integer)[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 4279--4279 [] \OT1/cmtt/m/n/10.95 wcr : weights for spline coefficients on radial m esh (in,real(12,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 4280--4281 [95] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4311--4311 [] \OT1/cmtt/m/n/10.95 wcr : weights for spline coefficients on radial me sh (in,real(12,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 4312--4313 [96] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4342--4342 [] \OT1/cmtt/m/n/10.95 wcr : weights for spline coefficients on radial me sh (in,real(12,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 4343--4344 [97] Underfull \hbox (badness 10000) in paragraph at lines 4387--4388 Underfull \hbox (badness 10000) in paragraph at lines 4412--4413 [98] Underfull \hbox (badness 10000) in paragraph at lines 4444--4445 Overfull \hbox (20.52634pt too wide) in paragraph at lines 4471--4471 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] Underfull \hbox (badness 10000) in paragraph at lines 4472--4473 [99] Underfull \hbox (badness 10000) in paragraph at lines 4495--4496 [100] Underfull \hbox (badness 10000) in paragraph at lines 4519--4520 Underfull \hbox (badness 10000) in paragraph at lines 4550--4551 [101] Underfull \hbox (badness 10000) in paragraph at lines 4570--4571 Underfull \hbox (badness 10000) in paragraph at lines 4598--4599 [102] Underfull \hbox (badness 10000) in paragraph at lines 4623--4624 Underfull \hbox (badness 10000) in paragraph at lines 4646--4647 [103] Underfull \hbox (badness 10000) in paragraph at lines 4669--4670 Underfull \hbox (badness 10000) in paragraph at lines 4700--4701 [104] Overfull \hbox (20.52634pt too wide) in paragraph at lines 4734--4734 [] \OT1/cmtt/m/n/10.95 subroutine xcifc_libxc(xctype,n,tempa,rho,rhoup,rhodn,g2 rho,g2up,g2dn,grho2, & Overfull \hbox (32.02371pt too wide) in paragraph at lines 4734--4734 [] \OT1/cmtt/m/n/10.95 gup2,gdn2,gupdn,tau,tauup,taudn,ex,ec,vx,vc,vxup,vxdn,v cup,vcdn,dxdgr2,dxdgu2,&[] Overfull \hbox (32.02371pt too wide) in paragraph at lines 4734--4734 [] \OT1/cmtt/m/n/10.95 dxdgd2,dxdgud,dcdgr2,dcdgu2,dcdgd2,dcdgud,dxdg2r,dxdg2u ,dxdg2d,dcdg2r,dcdg2u, &[] [105] Underfull \hbox (badness 10000) in paragraph at lines 4780--4781 Overfull \hbox (6.55638pt too wide) in paragraph at lines 4783--4787 \OT1/cmtt/m/n/10.95 http://www.tddft.org/programs/octopus/wiki/index.php/Libxc\ OT1/cmr/m/n/10.95 . The sec-ond and third Underfull \hbox (badness 10000) in paragraph at lines 4808--4809 [106] Underfull \hbox (badness 10000) in paragraph at lines 4832--4833 Underfull \hbox (badness 10000) in paragraph at lines 4856--4857 [107] Underfull \hbox (badness 10000) in paragraph at lines 4893--4894 [108] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4941--4941 [] \OT1/cmtt/m/n/10.95 nu : current output vector as well as the next input vector of the[] Underfull \hbox (badness 10000) in paragraph at lines 4942--4943 [109] Underfull \hbox (badness 10000) in paragraph at lines 4972--4973 Overfull \hbox (26.27502pt too wide) in paragraph at lines 4998--4998 [] \OT1/cmtt/m/n/10.95 subroutine xcifc(xctype,n,tempa,rho,rhoup,rhodn,grho,gup ,gdn,g2rho,g2up,g2dn, & Overfull \hbox (26.27502pt too wide) in paragraph at lines 4998--4998 [] \OT1/cmtt/m/n/10.95 g3rho,g3up,g3dn,grho2,gup2,gdn2,gupdn,tau,tauup,taudn,e x,ec,vx,vc,vxup,vxdn, &[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 4998--4998 [] \OT1/cmtt/m/n/10.95 vcup,vcdn,dxdgr2,dxdgu2,dxdgd2,dxdgud,dcdgr2,dcdgu2,dcd gd2,dcdgud,dxdg2r, &[] Overfull \hbox (32.02371pt too wide) in paragraph at lines 4998--4998 [] \OT1/cmtt/m/n/10.95 dxdg2u,dxdg2d,dcdg2r,dcdg2u,dcdg2d,wx,wxup,wxdn,wc,wcup ,wcdn,dtdr,dtdru,dtdrd,&[] [110] [111] Underfull \hbox (badness 10000) in paragraph at lines 5058--5059 Underfull \hbox (badness 10000) in paragraph at lines 5092--5093 [112] Underfull \hbox (badness 10000) in paragraph at lines 5116--5117 Underfull \hbox (badness 10000) in paragraph at lines 5137--5138 Overfull \hbox (32.02371pt too wide) in paragraph at lines 5149--5149 [] \OT1/cmtt/m/n/10.95 Contact hyperfine field evaluated at the nuclear rad ius rather than averaged[] [113] Underfull \hbox (badness 10000) in paragraph at lines 5163--5164 Underfull \hbox (badness 10000) in paragraph at lines 5184--5185 [114] Underfull \hbox (badness 10000) in paragraph at lines 5207--5208 Underfull \hbox (badness 10000) in paragraph at lines 5237--5238 [115] Underfull \hbox (badness 10000) in paragraph at lines 5262--5263 Underfull \hbox (badness 10000) in paragraph at lines 5285--5286 [116] Underfull \hbox (badness 10000) in paragraph at lines 5317--5318 Underfull \hbox (badness 10000) in paragraph at lines 5343--5344 [117] Overfull \hbox (26.27502pt too wide) in paragraph at lines 5368--5368 [] \OT1/cmtt/m/n/10.95 tproj : .true. if nf=3 and the vector function shoul d be projected onto the Underfull \hbox (badness 10000) in paragraph at lines 5369--5370 Underfull \hbox (badness 10000) in paragraph at lines 5393--5394 [118] Overfull \hbox (3.28027pt too wide) in paragraph at lines 5420--5420 [] \OT1/cmtt/m/n/10.95 vpl : connecting point vectors in lattice coordinat es (out,real(3,np))[] Underfull \hbox (badness 10000) in paragraph at lines 5421--5422 Underfull \hbox (badness 10000) in paragraph at lines 5449--5450 [119] Underfull \hbox (badness 10000) in paragraph at lines 5479--5480 Underfull \hbox (badness 10000) in paragraph at lines 5501--5502 [120] Underfull \hbox (badness 10000) in paragraph at lines 5524--5525 Overfull \hbox (0.21347pt too wide) in paragraph at lines 5527--5530 []\OT1/cmr/m/n/10.95 Computes the Kohn-Sham ef-fec-tive po-ten-tial by adding t o-gether the Coulomb and exchange- Underfull \hbox (badness 10000) in paragraph at lines 5548--5549 [121] Underfull \hbox (badness 10000) in paragraph at lines 5572--5573 Overfull \hbox (26.27502pt too wide) in paragraph at lines 5590--5590 [] \OT1/cmtt/m/n/10.95 subroutine potxc(tsh,xctype_,rhomt_,rhoir_,magmt_,magir_ ,taumt_,tauir_,exmt_, & Underfull \hbox (badness 10000) in paragraph at lines 5593--5594 [122] Underfull \hbox (badness 10000) in paragraph at lines 5618--5619 Underfull \hbox (badness 10000) in paragraph at lines 5637--5638 [123] Underfull \hbox (badness 10000) in paragraph at lines 5658--5659 Underfull \hbox (badness 10000) in paragraph at lines 5677--5678 Underfull \hbox (badness 10000) in paragraph at lines 5697--5698 [124] Underfull \hbox (badness 10000) in paragraph at lines 5717--5718 Underfull \hbox (badness 10000) in paragraph at lines 5737--5738 [125] Underfull \hbox (badness 10000) in paragraph at lines 5757--5758 Underfull \hbox (badness 10000) in paragraph at lines 5777--5778 Underfull \hbox (badness 10000) in paragraph at lines 5795--5796 [126] Underfull \hbox (badness 10000) in paragraph at lines 5829--5830 [127] Underfull \hbox (badness 10000) in paragraph at lines 5864--5865 [128] Underfull \hbox (badness 10000) in paragraph at lines 5899--5900 Overfull \hbox (0.44627pt too wide) in paragraph at lines 5902--5904 []\OT1/cmr/m/n/10.95 Calculates the deriva-tive of the to-tal en-ergy w.r.t. th e second-variational co-ef-fi-cients \OT1/cmtt/m/n/10.95 evecsv\OT1/cmr/m/n/10. 95 . Underfull \hbox (badness 10000) in paragraph at lines 5921--5922 Underfull \hbox (badness 10000) in paragraph at lines 5942--5943 [129] Underfull \hbox (badness 10000) in paragraph at lines 5963--5964 Underfull \hbox (badness 10000) in paragraph at lines 5984--5985 [130] Underfull \hbox (badness 10000) in paragraph at lines 6005--6006 Underfull \hbox (badness 10000) in paragraph at lines 6026--6027 [131] Underfull \hbox (badness 10000) in paragraph at lines 6046--6047 Underfull \hbox (badness 10000) in paragraph at lines 6065--6066 Underfull \hbox (badness 10000) in paragraph at lines 6086--6087 [132] Underfull \hbox (badness 10000) in paragraph at lines 6108--6109 Underfull \hbox (badness 10000) in paragraph at lines 6128--6129 [133] Underfull \hbox (badness 10000) in paragraph at lines 6149--6150 Underfull \hbox (badness 10000) in paragraph at lines 6170--6171 Underfull \hbox (badness 10000) in paragraph at lines 6191--6192 [134] Underfull \hbox (badness 10000) in paragraph at lines 6218--6219 Overfull \hbox (5.17302pt too wide) in paragraph at lines 6221--6223 []\OT1/cmr/m/n/10.95 Writes the deriva-tive of to-tal en-ergy with re-spect to oc-cu-pa-tion num-bers to file \OT1/cmtt/m/n/10.95 RDM[]DEDN.OUT\OT1/cmr/m/n/10 .95 . Underfull \hbox (badness 10000) in paragraph at lines 6239--6240 [135] Underfull \hbox (badness 10000) in paragraph at lines 6257--6258 [136] Underfull \hbox (badness 10000) in paragraph at lines 6290--6291 Underfull \hbox (badness 10000) in paragraph at lines 6310--6311 [137] Underfull \hbox (badness 10000) in paragraph at lines 6332--6333 Overfull \hbox (3.28027pt too wide) in paragraph at lines 6364--6364 [] \OT1/cmtt/m/n/10.95 rfir1 : first real interstitial function in real-spa ce (in,real(ngtot))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 6364--6364 [] \OT1/cmtt/m/n/10.95 rfmt2 : second function in real spherical harmonics for all muffin-tins[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6364--6364 [] \OT1/cmtt/m/n/10.95 rfir2 : second real interstitial function in real-sp ace (in,real(ngtot))[] Underfull \hbox (badness 10000) in paragraph at lines 6365--6366 [138] Underfull \hbox (badness 10000) in paragraph at lines 6394--6395 Underfull \hbox (badness 10000) in paragraph at lines 6417--6418 [139] Underfull \hbox (badness 10000) in paragraph at lines 6440--6441 Overfull \hbox (9.02896pt too wide) in paragraph at lines 6464--6464 [] \OT1/cmtt/m/n/10.95 nri : number of radial mesh points on the inner pa rt of the muffin-tin[] Underfull \hbox (badness 10000) in paragraph at lines 6465--6466 [140] Underfull \hbox (badness 10000) in paragraph at lines 6489--6490 Underfull \hbox (badness 10000) in paragraph at lines 6511--6512 [141] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6541--6541 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,int eger(ngkmax,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 6541--6541 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (in,complex( nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 6542--6543 [142] Underfull \hbox (badness 10000) in paragraph at lines 6573--6574 Underfull \hbox (badness 10000) in paragraph at lines 6592--6593 [143] Underfull \hbox (badness 10000) in paragraph at lines 6615--6616 Underfull \hbox (badness 10000) in paragraph at lines 6638--6639 [144] Underfull \hbox (badness 10000) in paragraph at lines 6673--6674 Underfull \hbox (badness 10000) in paragraph at lines 6725--6726 [145] Underfull \hbox (badness 10000) in paragraph at lines 6752--6753 [146] Overfull \hbox (14.77765pt too wide) in paragraph at lines 6799--6799 [] \OT1/cmtt/m/n/10.95 zflm1 : coefficients of the complex spherical harmon ic expansion for each[] Underfull \hbox (badness 10000) in paragraph at lines 6800--6801 [147] Underfull \hbox (badness 10000) in paragraph at lines 6834--6835 Overfull \hbox (9.02896pt too wide) in paragraph at lines 6873--6873 [] \OT1/cmtt/m/n/10.95 rflm : coefficients of real spherical harmonic expan sion (in,real(ld,n))[] Underfull \hbox (badness 10000) in paragraph at lines 6874--6875 [148] Underfull \hbox (badness 10000) in paragraph at lines 6903--6904 [149] Underfull \hbox (badness 10000) in paragraph at lines 6925--6926 Underfull \hbox (badness 10000) in paragraph at lines 6955--6956 [150] Underfull \hbox (badness 10000) in paragraph at lines 6987--6988 [151] Underfull \hbox (badness 10000) in paragraph at lines 7015--7016 Underfull \hbox (badness 10000) in paragraph at lines 7050--7051 [152] Underfull \hbox (badness 10000) in paragraph at lines 7069--7070 Underfull \hbox (badness 10000) in paragraph at lines 7089--7090 [153] Underfull \hbox (badness 10000) in paragraph at lines 7116--7117 Underfull \hbox (badness 10000) in paragraph at lines 7139--7140 [154] Underfull \hbox (badness 10000) in paragraph at lines 7165--7166 Underfull \hbox (badness 10000) in paragraph at lines 7193--7194 [155] Underfull \hbox (badness 10000) in paragraph at lines 7220--7221 Underfull \hbox (badness 10000) in paragraph at lines 7240--7241 [156] Underfull \hbox (badness 10000) in paragraph at lines 7262--7263 Underfull \hbox (badness 10000) in paragraph at lines 7290--7291 [157] Underfull \hbox (badness 10000) in paragraph at lines 7313--7314 Underfull \hbox (badness 10000) in paragraph at lines 7337--7338 [158] Underfull \hbox (badness 10000) in paragraph at lines 7358--7359 Underfull \hbox (badness 10000) in paragraph at lines 7378--7379 [159] Underfull \hbox (badness 10000) in paragraph at lines 7407--7408 Underfull \hbox (badness 10000) in paragraph at lines 7430--7431 [160] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7468--7468 [] \OT1/cmtt/m/n/10.95 nri : number of radial points on the inner part (in ,integer(nspecies))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7468--7468 [] \OT1/cmtt/m/n/10.95 np : total number of points in each muffin-tin (in ,integer(nspecies))[] Underfull \hbox (badness 10000) in paragraph at lines 7469--7470 Underfull \hbox (badness 10000) in paragraph at lines 7498--7499 [161] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7517--7517 [] \OT1/cmtt/m/n/10.95 subroutine symrvf(tspin,tnc,nr,nri,np,ngdg,ngt,ngv,igf,l d1,rvfmt,ld2,rvfir) Overfull \hbox (3.28027pt too wide) in paragraph at lines 7533--7533 [] \OT1/cmtt/m/n/10.95 nr : number of radial points for each species (in ,integer(nspecies))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 7533--7533 [] \OT1/cmtt/m/n/10.95 nri : number of radial points on the inner part (i n,integer(nspecies))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 7533--7533 [] \OT1/cmtt/m/n/10.95 np : total number of points in each muffin-tin (i n,integer(nspecies))[] Underfull \hbox (badness 10000) in paragraph at lines 7534--7535 [162] Underfull \hbox (badness 10000) in paragraph at lines 7571--7572 Overfull \hbox (14.77765pt too wide) in paragraph at lines 7590--7590 [] \OT1/cmtt/m/n/10.95 vca : vectors in Cartesian coordinates for all atoms (in,real(3,natmtot)) Underfull \hbox (badness 10000) in paragraph at lines 7591--7592 [163] Underfull \hbox (badness 10000) in paragraph at lines 7610--7611 Underfull \hbox (badness 10000) in paragraph at lines 7633--7634 [164] Underfull \hbox (badness 10000) in paragraph at lines 7675--7676 [165] Underfull \hbox (badness 10000) in paragraph at lines 7727--7728 [166] Underfull \hbox (badness 10000) in paragraph at lines 7747--7748 Underfull \hbox (badness 10000) in paragraph at lines 7770--7771 Underfull \hbox (badness 10000) in paragraph at lines 7789--7790 [167] Overfull \hbox (20.52634pt too wide) in paragraph at lines 7822--7822 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] Underfull \hbox (badness 10000) in paragraph at lines 7823--7824 [168] Underfull \hbox (badness 10000) in paragraph at lines 7859--7860 Underfull \hbox (badness 10000) in paragraph at lines 7889--7890 [169] Underfull \hbox (badness 10000) in paragraph at lines 7911--7912 Underfull \hbox (badness 10000) in paragraph at lines 7937--7938 [170] Underfull \hbox (badness 10000) in paragraph at lines 7956--7957 Underfull \hbox (badness 10000) in paragraph at lines 7974--7975 [171] Underfull \hbox (badness 10000) in paragraph at lines 7996--7997 Underfull \hbox (badness 10000) in paragraph at lines 8016--8017 [172] Underfull \hbox (badness 10000) in paragraph at lines 8040--8041 Underfull \hbox (badness 10000) in paragraph at lines 8060--8061 [173] Underfull \hbox (badness 10000) in paragraph at lines 8079--8080 Overfull \hbox (16.14984pt too wide) in paragraph at lines 8082--8084 []\OT1/cmr/m/n/10.95 Writes the lin-eari-sa-tion en-er-gies for all APW and loc al-orbital func-tions to the file \OT1/cmtt/m/n/10.95 LINENGY.OUT\OT1/cmr/m/n/1 0.95 . Underfull \hbox (badness 10000) in paragraph at lines 8099--8100 Underfull \hbox (badness 10000) in paragraph at lines 8119--8120 [174] Underfull \hbox (badness 10000) in paragraph at lines 8139--8140 Underfull \hbox (badness 10000) in paragraph at lines 8162--8163 [175] Underfull \hbox (badness 10000) in paragraph at lines 8190--8191 Underfull \hbox (badness 10000) in paragraph at lines 8214--8215 [176] Underfull \hbox (badness 10000) in paragraph at lines 8235--8236 Underfull \hbox (badness 10000) in paragraph at lines 8263--8264 [177] Underfull \hbox (badness 10000) in paragraph at lines 8289--8290 Underfull \hbox (badness 10000) in paragraph at lines 8310--8311 [178] Underfull \hbox (badness 10000) in paragraph at lines 8330--8331 Underfull \hbox (badness 10000) in paragraph at lines 8352--8353 [179] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8372--8372 [] \OT1/cmtt/m/n/10.95 subroutine xc_pbe(n,kappa,mu,beta,rhoup,rhodn,grho,gup,g dn,g2up,g2dn,g3rho, & Underfull \hbox (badness 10000) in paragraph at lines 8393--8394 [180] Underfull \hbox (badness 10000) in paragraph at lines 8425--8426 Underfull \hbox (badness 10000) in paragraph at lines 8451--8452 [181] Underfull \hbox (badness 10000) in paragraph at lines 8480--8481 Underfull \hbox (badness 10000) in paragraph at lines 8504--8505 [182] Underfull \hbox (badness 10000) in paragraph at lines 8527--8528 Overfull \hbox (3.28027pt too wide) in paragraph at lines 8555--8555 [] \OT1/cmtt/m/n/10.95 dy : rotation matrix for complex spherical harmoni cs (out,real(ld,*))[] Underfull \hbox (badness 10000) in paragraph at lines 8556--8557 [183] Underfull \hbox (badness 10000) in paragraph at lines 8585--8586 Underfull \hbox (badness 10000) in paragraph at lines 8606--8607 [184] Underfull \hbox (badness 10000) in paragraph at lines 8627--8628 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8651--8651 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8652--8653 [185] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8677--8677 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8678--8679 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8709--8709 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8710--8711 [186] Underfull \hbox (badness 10000) in paragraph at lines 8737--8738 [187] Underfull \hbox (badness 10000) in paragraph at lines 8767--8768 Overfull \hbox (3.28027pt too wide) in paragraph at lines 8799--8799 [] \OT1/cmtt/m/n/10.95 wpr : weights for partial integration on radial m esh (in,real(4,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 8800--8801 [188] Overfull \hbox (32.02371pt too wide) in paragraph at lines 8823--8823 [] \OT1/cmtt/m/n/10.95 subroutine zpotcoul(nr,nri,np,ld1,rl,ngdg,igf,ngp,gpc,gc lgp,ld2,jlgprmt,ylmgp, & Overfull \hbox (14.77765pt too wide) in paragraph at lines 8847--8847 [] \OT1/cmtt/m/n/10.95 nr : number of radial points for each species ( in,integer(nspecies)) Overfull \hbox (14.77765pt too wide) in paragraph at lines 8847--8847 [] \OT1/cmtt/m/n/10.95 jlgprmt : spherical Bessel functions for evergy G+p- vector and muffin-tin[] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8847--8847 [] \OT1/cmtt/m/n/10.95 ylmgp : spherical harmonics of the G+p-vectors (in ,complex(lmmaxo,ngp))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 8847--8847 [] \OT1/cmtt/m/n/10.95 sfacgp : structure factors of the G+p-vectors (in,c omplex(ld2,natmtot))[] Underfull \hbox (badness 10000) in paragraph at lines 8848--8849 [189] [190] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8925--8925 [] \OT1/cmtt/m/n/10.95 rflm : coefficients of real spherical harmonic expan sion (out,real(ld,n))[] Underfull \hbox (badness 10000) in paragraph at lines 8926--8927 [191] (./elk.aux) LaTeX Warning: Label(s) may have changed. Rerun to get cross-references right. ) (see the transcript file for additional information) Output written on elk.pdf (191 pages, 720595 bytes). Transcript written on elk.log. This is pdfTeX, Version 3.141592653-2.6-1.40.26 (TeX Live 2025/dev/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./elk.tex LaTeX2e <2024-06-01> patch level 2 L3 programming layer <2024-05-27> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2024/02/08 v1.4n Standard LaTeX document class (/usr/share/texlive/texmf-dist/tex/latex/base/size11.clo)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsmath.sty For additional information on amsmath, use the `?' option. (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amstext.sty (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsgen.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsbsy.sty) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsopn.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amssymb.sty (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amsfonts.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/epsfig.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphicx.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/keyval.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphics.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/trig.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/graphics.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics-def/pdftex.def)))) (/usr/share/texlive/texmf-dist/tex/latex/tools/tabularx.sty (/usr/share/texlive/texmf-dist/tex/latex/tools/array.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/color.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/color.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics/mathcolor.ltx)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hyperref.sty (/usr/share/texlive/texmf-dist/tex/generic/iftex/iftex.sty) (/usr/share/texlive/texmf-dist/tex/latex/kvsetkeys/kvsetkeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/kvdefinekeys/kvdefinekeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdfescape/pdfescape.sty (/usr/share/texlive/texmf-dist/tex/generic/ltxcmds/ltxcmds.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdftexcmds/pdftexcmds.sty (/usr/share/texlive/texmf-dist/tex/generic/infwarerr/infwarerr.sty))) (/usr/share/texlive/texmf-dist/tex/latex/hycolor/hycolor.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/nameref.sty (/usr/share/texlive/texmf-dist/tex/latex/refcount/refcount.sty) (/usr/share/texlive/texmf-dist/tex/generic/gettitlestring/gettitlestring.sty (/usr/share/texlive/texmf-dist/tex/latex/kvoptions/kvoptions.sty))) (/usr/share/texlive/texmf-dist/tex/latex/etoolbox/etoolbox.sty) (/usr/share/texlive/texmf-dist/tex/generic/stringenc/stringenc.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/pd1enc.def) (/usr/share/texlive/texmf-dist/tex/generic/intcalc/intcalc.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/puenc.def) (/usr/share/texlive/texmf-dist/tex/latex/url/url.sty) (/usr/share/texlive/texmf-dist/tex/generic/bitset/bitset.sty (/usr/share/texlive/texmf-dist/tex/generic/bigintcalc/bigintcalc.sty)) (/usr/share/texlive/texmf-dist/tex/latex/base/atbegshi-ltx.sty)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hpdftex.def (/usr/share/texlive/texmf-dist/tex/latex/base/atveryend-ltx.sty) (/usr/share/texlive/texmf-dist/tex/latex/rerunfilecheck/rerunfilecheck.sty (/usr/share/texlive/texmf-dist/tex/generic/uniquecounter/uniquecounter.sty))) (/usr/share/texlive/texmf-dist/tex/latex/l3backend/l3backend-pdftex.def) (./elk.aux) (/usr/share/texlive/texmf-dist/tex/context/base/mkii/supp-pdf.mkii [Loading MPS to PDF converter (version 2006.09.02).] ) (/usr/share/texlive/texmf-dist/tex/latex/epstopdf-pkg/epstopdf-base.sty (/usr/share/texlive/texmf-dist/tex/latex/latexconfig/epstopdf-sys.cfg)) (./elk.out) (./elk.out) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsa.fd) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsb.fd) Overfull \hbox (17.24997pt too wide) in paragraph at lines 73--75 [][][][] Underfull \hbox (badness 10000) in paragraph at lines 73--75 [1{/var/lib/texmf/fonts/map/pdftex/updmap/pdftex.map} <./elk_silhouette.pdf>] (./elk.toc [2] [3] [4] [5] [6] [7] [8] [9]) [10] [11] [12] [13] [14] Overfull \hbox (14.77765pt too wide) in paragraph at lines 323--323 [] \OT1/cmtt/m/n/10.95 1 0 1 2.00000 T : nsp, ls p, ksp, occsp, spcore[] [15] [16] [17] [18] [19] [20] [21] Overfull \hbox (0.95221pt too wide) in paragraph at lines 677--681 []\OT1/cmr/m/n/10.95 If \OT1/cmtt/m/n/10.95 fracinr \OT1/cmr/m/n/10.95 is neg-a -tive then the frac-tion is de-ter-mined from $\OML/cmm/m/it/10.95 f \OT1/cmr/m /n/10.95 = []$ [22] [23] [24] [25] [26] [27] [28] [29] [30] [31] [32] [33] [34] Underfull \hbox (badness 1924) in paragraph at lines 1383--1383 []|\OT1/cmr/m/n/10.95 Generate the RPA in-verse di-elec-tric func-tion with lo- cal con-tri-bu-tions [35] [36] [37] [38] Overfull \hbox (13.04211pt too wide) in paragraph at lines 1536--1539 []\OT1/cmr/m/n/10.95 When this vari-able is \OT1/cmtt/m/n/10.95 .true.\OT1/cmr/ m/n/10.95 , the screened in-ter-ac-tion used in a $\OML/cmm/m/it/10.95 GW$ \OT1 /cmr/m/n/10.95 cal-cu-la-tion $\OML/cmm/m/it/10.95 W\OT1/cmr/m/n/10.95 (\OT1/cm r/bx/n/10.95 G\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 G[]\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 q\OML/cmm/m/it/10.95 ; !\OT1/cmr/m/n/10.95 )$ [39] [40] [41] [42] [43] Underfull \hbox (badness 10000) in paragraph at lines 1736--1737 Underfull \hbox (badness 10000) in paragraph at lines 1766--1767 [44] Overfull \hbox (26.27502pt too wide) in paragraph at lines 1790--1790 [] \OT1/cmtt/m/n/10.95 subroutine atom(sol,ptnucl,zn,nst,n,l,k,occ,xctype,xcgra d,nr,r,eval,rho,vr,rwf) Overfull \hbox (26.27502pt too wide) in paragraph at lines 1808--1808 [] \OT1/cmtt/m/n/10.95 eval : eigenvalue without rest-mass energy for eac h state (out,real(nst))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 1808--1808 [] \OT1/cmtt/m/n/10.95 rwf : major and minor components of radial wavefu nctions for each state[] Underfull \hbox (badness 10000) in paragraph at lines 1809--1810 [45] Underfull \hbox (badness 10000) in paragraph at lines 1833--1834 Underfull \hbox (badness 10000) in paragraph at lines 1861--1862 Underfull \hbox (badness 10000) in paragraph at lines 1883--1884 [46] Underfull \hbox (badness 10000) in paragraph at lines 1906--1907 Underfull \hbox (badness 10000) in paragraph at lines 1931--1932 [47] Underfull \hbox (badness 10000) in paragraph at lines 1968--1969 [48] Underfull \hbox (badness 10000) in paragraph at lines 2004--2005 [49] Underfull \hbox (badness 10000) in paragraph at lines 2028--2029 Underfull \hbox (badness 10000) in paragraph at lines 2049--2050 Underfull \hbox (badness 10000) in paragraph at lines 2072--2073 [50] Underfull \hbox (badness 10000) in paragraph at lines 2096--2097 [51] Underfull \hbox (badness 10000) in paragraph at lines 2125--2126 Overfull \hbox (20.52634pt too wide) in paragraph at lines 2154--2154 [] \OT1/cmtt/m/n/10.95 tocc : .true. if just the occupied orbitals should contribute to the DOS[] Underfull \hbox (badness 10000) in paragraph at lines 2155--2156 [52] Underfull \hbox (badness 10000) in paragraph at lines 2188--2189 [53] Underfull \hbox (badness 10000) in paragraph at lines 2214--2215 Underfull \hbox (badness 10000) in paragraph at lines 2251--2252 [54] Underfull \hbox (badness 10000) in paragraph at lines 2274--2275 [55] Underfull \hbox (badness 10000) in paragraph at lines 2338--2339 [56] Underfull \hbox (badness 10000) in paragraph at lines 2358--2359 Underfull \hbox (badness 10000) in paragraph at lines 2379--2380 Underfull \hbox (badness 10000) in paragraph at lines 2404--2405 [57] Underfull \hbox (badness 10000) in paragraph at lines 2433--2434 [58] Underfull \hbox (badness 10000) in paragraph at lines 2461--2462 Underfull \hbox (badness 10000) in paragraph at lines 2486--2487 [59] Underfull \hbox (badness 10000) in paragraph at lines 2509--2510 Overfull \hbox (32.02371pt too wide) in paragraph at lines 2540--2540 [] \OT1/cmtt/m/n/10.95 demax : maximum allowed change from the input energy ; enforced only if e < 0[] Underfull \hbox (badness 10000) in paragraph at lines 2541--2542 [60] Underfull \hbox (badness 10000) in paragraph at lines 2573--2574 Overfull \hbox (20.52634pt too wide) in paragraph at lines 2602--2602 [] \OT1/cmtt/m/n/10.95 nspnfv : number of first-variational spin components : 1 normal case, 2 for[] [61] Underfull \hbox (badness 10000) in paragraph at lines 2603--2604 Underfull \hbox (badness 10000) in paragraph at lines 2625--2626 Underfull \hbox (badness 10000) in paragraph at lines 2647--2648 [62] Overfull \hbox (9.02896pt too wide) in paragraph at lines 2684--2684 [] \OT1/cmtt/m/n/10.95 lspl : spatial rotation element in lattice point gro up for each symmetry[] Underfull \hbox (badness 10000) in paragraph at lines 2685--2686 [63] Underfull \hbox (badness 10000) in paragraph at lines 2713--2714 [64] Underfull \hbox (badness 10000) in paragraph at lines 2746--2747 Underfull \hbox (badness 10000) in paragraph at lines 2775--2776 [65] [66] Underfull \hbox (badness 10000) in paragraph at lines 2853--2854 Underfull \hbox (badness 10000) in paragraph at lines 2875--2876 [67] Underfull \hbox (badness 10000) in paragraph at lines 2899--2900 Underfull \hbox (badness 10000) in paragraph at lines 2924--2925 [68] Underfull \hbox (badness 10000) in paragraph at lines 2945--2946 Underfull \hbox (badness 10000) in paragraph at lines 2970--2971 Underfull \hbox (badness 10000) in paragraph at lines 2992--2993 [69] Underfull \hbox (badness 10000) in paragraph at lines 3012--3013 [70] Underfull \hbox (badness 10000) in paragraph at lines 3042--3043 Underfull \hbox (badness 10000) in paragraph at lines 3069--3070 [71] Underfull \hbox (badness 10000) in paragraph at lines 3100--3101 Underfull \hbox (badness 10000) in paragraph at lines 3134--3135 [72] Underfull \hbox (badness 10000) in paragraph at lines 3157--3158 Underfull \hbox (badness 10000) in paragraph at lines 3179--3180 [73] Underfull \hbox (badness 10000) in paragraph at lines 3199--3200 Overfull \hbox (32.02371pt too wide) in paragraph at lines 3235--3235 [] \OT1/cmtt/m/n/10.95 pure subroutine gengkvec(ngv,ivg,vgc,vkl,vkc,gkmax,ngkma x,ngk,igkig,vgkl,vgkc, & [74] Underfull \hbox (badness 10000) in paragraph at lines 3248--3249 Underfull \hbox (badness 10000) in paragraph at lines 3269--3270 [75] Underfull \hbox (badness 10000) in paragraph at lines 3293--3294 Underfull \hbox (badness 10000) in paragraph at lines 3318--3319 [76] Overfull \hbox (26.27502pt too wide) in paragraph at lines 3343--3343 [] \OT1/cmtt/m/n/10.95 first-variational basis; second-variational otherwise (in,logical)[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3343--3343 [] \OT1/cmtt/m/n/10.95 tvclvr : .true. if the non-local Coulomb potential f rom the core states is[] Underfull \hbox (badness 10000) in paragraph at lines 3344--3345 Underfull \hbox (badness 10000) in paragraph at lines 3363--3364 [77] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3396--3396 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,inte ger(ngkmax,nspnfv))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3396--3396 [] \OT1/cmtt/m/n/10.95 vgpc : G+p-vectors in Cartesian coordinates (in,rea l(3,ngkmax,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 3397--3398 Overfull \hbox (14.77765pt too wide) in paragraph at lines 3423--3423 [] \OT1/cmtt/m/n/10.95 subroutine genppts(tfbz,nsym,sym,ngridp,npptnr,epslat,bv ec,boxl,nppt,ipvip, & Overfull \hbox (32.02371pt too wide) in paragraph at lines 3449--3449 [] \OT1/cmtt/m/n/10.95 tfbz : .true. if vpl and vpc should be mapped to the first Brillouin zone Overfull \hbox (26.27502pt too wide) in paragraph at lines 3449--3449 [] \OT1/cmtt/m/n/10.95 nsym : number of point group symmetries used for reduction, set to 1 for[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3449--3449 [] \OT1/cmtt/m/n/10.95 npptnr : number of non-reduced p-points: ngridp(1)* ngridp(2)*ngridp(3)[] [78] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3449--3449 [] \OT1/cmtt/m/n/10.95 boxl : corners of box containing p-points in latt ice coordinates, the[] Underfull \hbox (badness 10000) in paragraph at lines 3450--3451 [79] Underfull \hbox (badness 10000) in paragraph at lines 3488--3489 Underfull \hbox (badness 10000) in paragraph at lines 3519--3520 [80] Underfull \hbox (badness 10000) in paragraph at lines 3541--3542 Underfull \hbox (badness 10000) in paragraph at lines 3563--3564 [81] Underfull \hbox (badness 10000) in paragraph at lines 3583--3584 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3615--3615 [] \OT1/cmtt/m/n/10.95 jlgqr : spherical Bessel functions evaluated on the coarse radial mesh for[] Overfull \hbox (14.77765pt too wide) in paragraph at lines 3615--3615 [] \OT1/cmtt/m/n/10.95 ylmgq : spherical harmonics of the G+q-vectors (in, complex(lmmaxo,ngrf))[] Underfull \hbox (badness 10000) in paragraph at lines 3616--3617 [82] Underfull \hbox (badness 10000) in paragraph at lines 3666--3667 Overfull \hbox (2.63586pt too wide) in paragraph at lines 3669--3671 []\OT1/cmr/m/n/10.95 Calculates the Coulomb ma-trix el-e-ments of the type $\OM L/cmm/m/it/10.95 V\OT1/cmr/m/n/10.95 (1\OML/cmm/m/it/10.95 ; \OT1/cmr/m/n/10.95 2\OML/cmm/m/it/10.95 ; \OT1/cmr/m/n/10.95 2\OML/cmm/m/it/10.95 ; \OT1/cmr/m/n/ 10.95 1)$. See the rou-tine \OT1/cmtt/m/n/10.95 genvcl1223 [83] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3686--3686 [] \OT1/cmtt/m/n/10.95 vcl1223 : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3687--3688 Underfull \hbox (badness 10000) in paragraph at lines 3714--3715 [84] Underfull \hbox (badness 10000) in paragraph at lines 3735--3736 Underfull \hbox (badness 10000) in paragraph at lines 3758--3759 Overfull \hbox (14.77765pt too wide) in paragraph at lines 3777--3777 [] \OT1/cmtt/m/n/10.95 subroutine genwfsv(tsh,tgp,nst,idx,ngdg,igf,ngp,igpig,ap walm,evecfv,evecsv, & [85] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 tsh : .true. if wfmt should be in spherical harmo nic basis, otherwise Overfull \hbox (3.28027pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 tgp : .true. if wfir should be in G+p-space, othe rwise in real-space[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,int eger(ngkmax,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (in,complex( nmatmax,nstfv,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 wfmt : muffin-tin part of the wavefunctions for ev ery state in spherical[] Underfull \hbox (badness 10000) in paragraph at lines 3800--3801 [86] Underfull \hbox (badness 10000) in paragraph at lines 3823--3824 Overfull \hbox (20.52634pt too wide) in paragraph at lines 3844--3844 [] \OT1/cmtt/m/n/10.95 t4pil : .true. if the plane wave prefactor should be included (in,logical) Underfull \hbox (badness 10000) in paragraph at lines 3845--3846 [87] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3879--3879 [] \OT1/cmtt/m/n/10.95 vgpl : G+p-vectors in lattice coordinates (out,rea l(3,ngkmax,nspnfv))[] Overfull \hbox (26.27502pt too wide) in paragraph at lines 3879--3879 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (out,complex (nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 3880--3881 Underfull \hbox (badness 10000) in paragraph at lines 3904--3905 [88] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3924--3924 [] \OT1/cmtt/m/n/10.95 vcl1223 : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3925--3926 Underfull \hbox (badness 10000) in paragraph at lines 3944--3945 Underfull \hbox (badness 10000) in paragraph at lines 3962--3963 [89] Underfull \hbox (badness 10000) in paragraph at lines 3980--3981 Underfull \hbox (badness 10000) in paragraph at lines 4007--4008 [90] Underfull \hbox (badness 10000) in paragraph at lines 4033--4034 Overfull \hbox (26.27502pt too wide) in paragraph at lines 4055--4055 [] \OT1/cmtt/m/n/10.95 subroutine ggair_sp_2b(g2up,g2dn,gvup,gvdn,vxup,vxdn,vcu p,vcdn,dxdgu2,dxdgd2, & Underfull \hbox (badness 10000) in paragraph at lines 4057--4058 [91] Underfull \hbox (badness 10000) in paragraph at lines 4076--4077 Underfull \hbox (badness 10000) in paragraph at lines 4094--4095 Underfull \hbox (badness 10000) in paragraph at lines 4112--4113 [92] Overfull \hbox (26.27502pt too wide) in paragraph at lines 4128--4128 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_1(is,np,rhoup,rhodn,grho,gup,gdn,g2u p,g2dn,g3rho,g3up,g3dn) Underfull \hbox (badness 10000) in paragraph at lines 4142--4143 Overfull \hbox (14.77765pt too wide) in paragraph at lines 4167--4167 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_2a(is,np,rhoup,rhodn,g2up,g2dn,gvup, gvdn,gup2,gdn2,gupdn) Underfull \hbox (badness 10000) in paragraph at lines 4169--4170 [93] Overfull \hbox (20.52634pt too wide) in paragraph at lines 4221--4221 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_2b(is,np,g2up,g2dn,gvup,gvdn,vxup,vx dn,vcup,vcdn,dxdgu2, & Underfull \hbox (badness 10000) in paragraph at lines 4223--4224 [94] Underfull \hbox (badness 10000) in paragraph at lines 4249--4250 Overfull \hbox (20.52634pt too wide) in paragraph at lines 4279--4279 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the m uffin-tin (in,integer)[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 4279--4279 [] \OT1/cmtt/m/n/10.95 wcr : weights for spline coefficients on radial m esh (in,real(12,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 4280--4281 [95] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4311--4311 [] \OT1/cmtt/m/n/10.95 wcr : weights for spline coefficients on radial me sh (in,real(12,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 4312--4313 [96] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4342--4342 [] \OT1/cmtt/m/n/10.95 wcr : weights for spline coefficients on radial me sh (in,real(12,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 4343--4344 [97] Underfull \hbox (badness 10000) in paragraph at lines 4387--4388 Underfull \hbox (badness 10000) in paragraph at lines 4412--4413 [98] Underfull \hbox (badness 10000) in paragraph at lines 4444--4445 Overfull \hbox (20.52634pt too wide) in paragraph at lines 4471--4471 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] Underfull \hbox (badness 10000) in paragraph at lines 4472--4473 [99] Underfull \hbox (badness 10000) in paragraph at lines 4495--4496 [100] Underfull \hbox (badness 10000) in paragraph at lines 4519--4520 Underfull \hbox (badness 10000) in paragraph at lines 4550--4551 [101] Underfull \hbox (badness 10000) in paragraph at lines 4570--4571 Underfull \hbox (badness 10000) in paragraph at lines 4598--4599 [102] Underfull \hbox (badness 10000) in paragraph at lines 4623--4624 Underfull \hbox (badness 10000) in paragraph at lines 4646--4647 [103] Underfull \hbox (badness 10000) in paragraph at lines 4669--4670 Underfull \hbox (badness 10000) in paragraph at lines 4700--4701 [104] Overfull \hbox (20.52634pt too wide) in paragraph at lines 4734--4734 [] \OT1/cmtt/m/n/10.95 subroutine xcifc_libxc(xctype,n,tempa,rho,rhoup,rhodn,g2 rho,g2up,g2dn,grho2, & Overfull \hbox (32.02371pt too wide) in paragraph at lines 4734--4734 [] \OT1/cmtt/m/n/10.95 gup2,gdn2,gupdn,tau,tauup,taudn,ex,ec,vx,vc,vxup,vxdn,v cup,vcdn,dxdgr2,dxdgu2,&[] Overfull \hbox (32.02371pt too wide) in paragraph at lines 4734--4734 [] \OT1/cmtt/m/n/10.95 dxdgd2,dxdgud,dcdgr2,dcdgu2,dcdgd2,dcdgud,dxdg2r,dxdg2u ,dxdg2d,dcdg2r,dcdg2u, &[] [105] Underfull \hbox (badness 10000) in paragraph at lines 4780--4781 Overfull \hbox (6.55638pt too wide) in paragraph at lines 4783--4787 \OT1/cmtt/m/n/10.95 http://www.tddft.org/programs/octopus/wiki/index.php/Libxc\ OT1/cmr/m/n/10.95 . The sec-ond and third Underfull \hbox (badness 10000) in paragraph at lines 4808--4809 [106] Underfull \hbox (badness 10000) in paragraph at lines 4832--4833 Underfull \hbox (badness 10000) in paragraph at lines 4856--4857 [107] Underfull \hbox (badness 10000) in paragraph at lines 4893--4894 [108] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4941--4941 [] \OT1/cmtt/m/n/10.95 nu : current output vector as well as the next input vector of the[] Underfull \hbox (badness 10000) in paragraph at lines 4942--4943 [109] Underfull \hbox (badness 10000) in paragraph at lines 4972--4973 Overfull \hbox (26.27502pt too wide) in paragraph at lines 4998--4998 [] \OT1/cmtt/m/n/10.95 subroutine xcifc(xctype,n,tempa,rho,rhoup,rhodn,grho,gup ,gdn,g2rho,g2up,g2dn, & Overfull \hbox (26.27502pt too wide) in paragraph at lines 4998--4998 [] \OT1/cmtt/m/n/10.95 g3rho,g3up,g3dn,grho2,gup2,gdn2,gupdn,tau,tauup,taudn,e x,ec,vx,vc,vxup,vxdn, &[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 4998--4998 [] \OT1/cmtt/m/n/10.95 vcup,vcdn,dxdgr2,dxdgu2,dxdgd2,dxdgud,dcdgr2,dcdgu2,dcd gd2,dcdgud,dxdg2r, &[] Overfull \hbox (32.02371pt too wide) in paragraph at lines 4998--4998 [] \OT1/cmtt/m/n/10.95 dxdg2u,dxdg2d,dcdg2r,dcdg2u,dcdg2d,wx,wxup,wxdn,wc,wcup ,wcdn,dtdr,dtdru,dtdrd,&[] [110] [111] Underfull \hbox (badness 10000) in paragraph at lines 5058--5059 Underfull \hbox (badness 10000) in paragraph at lines 5092--5093 [112] Underfull \hbox (badness 10000) in paragraph at lines 5116--5117 Underfull \hbox (badness 10000) in paragraph at lines 5137--5138 Overfull \hbox (32.02371pt too wide) in paragraph at lines 5149--5149 [] \OT1/cmtt/m/n/10.95 Contact hyperfine field evaluated at the nuclear rad ius rather than averaged[] [113] Underfull \hbox (badness 10000) in paragraph at lines 5163--5164 Underfull \hbox (badness 10000) in paragraph at lines 5184--5185 [114] Underfull \hbox (badness 10000) in paragraph at lines 5207--5208 Underfull \hbox (badness 10000) in paragraph at lines 5237--5238 [115] Underfull \hbox (badness 10000) in paragraph at lines 5262--5263 Underfull \hbox (badness 10000) in paragraph at lines 5285--5286 [116] Underfull \hbox (badness 10000) in paragraph at lines 5317--5318 Underfull \hbox (badness 10000) in paragraph at lines 5343--5344 [117] Overfull \hbox (26.27502pt too wide) in paragraph at lines 5368--5368 [] \OT1/cmtt/m/n/10.95 tproj : .true. if nf=3 and the vector function shoul d be projected onto the Underfull \hbox (badness 10000) in paragraph at lines 5369--5370 Underfull \hbox (badness 10000) in paragraph at lines 5393--5394 [118] Overfull \hbox (3.28027pt too wide) in paragraph at lines 5420--5420 [] \OT1/cmtt/m/n/10.95 vpl : connecting point vectors in lattice coordinat es (out,real(3,np))[] Underfull \hbox (badness 10000) in paragraph at lines 5421--5422 Underfull \hbox (badness 10000) in paragraph at lines 5449--5450 [119] Underfull \hbox (badness 10000) in paragraph at lines 5479--5480 Underfull \hbox (badness 10000) in paragraph at lines 5501--5502 [120] Underfull \hbox (badness 10000) in paragraph at lines 5524--5525 Overfull \hbox (0.21347pt too wide) in paragraph at lines 5527--5530 []\OT1/cmr/m/n/10.95 Computes the Kohn-Sham ef-fec-tive po-ten-tial by adding t o-gether the Coulomb and exchange- Underfull \hbox (badness 10000) in paragraph at lines 5548--5549 [121] Underfull \hbox (badness 10000) in paragraph at lines 5572--5573 Overfull \hbox (26.27502pt too wide) in paragraph at lines 5590--5590 [] \OT1/cmtt/m/n/10.95 subroutine potxc(tsh,xctype_,rhomt_,rhoir_,magmt_,magir_ ,taumt_,tauir_,exmt_, & Underfull \hbox (badness 10000) in paragraph at lines 5593--5594 [122] Underfull \hbox (badness 10000) in paragraph at lines 5618--5619 Underfull \hbox (badness 10000) in paragraph at lines 5637--5638 [123] Underfull \hbox (badness 10000) in paragraph at lines 5658--5659 Underfull \hbox (badness 10000) in paragraph at lines 5677--5678 Underfull \hbox (badness 10000) in paragraph at lines 5697--5698 [124] Underfull \hbox (badness 10000) in paragraph at lines 5717--5718 Underfull \hbox (badness 10000) in paragraph at lines 5737--5738 [125] Underfull \hbox (badness 10000) in paragraph at lines 5757--5758 Underfull \hbox (badness 10000) in paragraph at lines 5777--5778 Underfull \hbox (badness 10000) in paragraph at lines 5795--5796 [126] Underfull \hbox (badness 10000) in paragraph at lines 5829--5830 [127] Underfull \hbox (badness 10000) in paragraph at lines 5864--5865 [128] Underfull \hbox (badness 10000) in paragraph at lines 5899--5900 Overfull \hbox (0.44627pt too wide) in paragraph at lines 5902--5904 []\OT1/cmr/m/n/10.95 Calculates the deriva-tive of the to-tal en-ergy w.r.t. th e second-variational co-ef-fi-cients \OT1/cmtt/m/n/10.95 evecsv\OT1/cmr/m/n/10. 95 . Underfull \hbox (badness 10000) in paragraph at lines 5921--5922 Underfull \hbox (badness 10000) in paragraph at lines 5942--5943 [129] Underfull \hbox (badness 10000) in paragraph at lines 5963--5964 Underfull \hbox (badness 10000) in paragraph at lines 5984--5985 [130] Underfull \hbox (badness 10000) in paragraph at lines 6005--6006 Underfull \hbox (badness 10000) in paragraph at lines 6026--6027 [131] Underfull \hbox (badness 10000) in paragraph at lines 6046--6047 Underfull \hbox (badness 10000) in paragraph at lines 6065--6066 Underfull \hbox (badness 10000) in paragraph at lines 6086--6087 [132] Underfull \hbox (badness 10000) in paragraph at lines 6108--6109 Underfull \hbox (badness 10000) in paragraph at lines 6128--6129 [133] Underfull \hbox (badness 10000) in paragraph at lines 6149--6150 Underfull \hbox (badness 10000) in paragraph at lines 6170--6171 Underfull \hbox (badness 10000) in paragraph at lines 6191--6192 [134] Underfull \hbox (badness 10000) in paragraph at lines 6218--6219 Overfull \hbox (5.17302pt too wide) in paragraph at lines 6221--6223 []\OT1/cmr/m/n/10.95 Writes the deriva-tive of to-tal en-ergy with re-spect to oc-cu-pa-tion num-bers to file \OT1/cmtt/m/n/10.95 RDM[]DEDN.OUT\OT1/cmr/m/n/10 .95 . Underfull \hbox (badness 10000) in paragraph at lines 6239--6240 [135] Underfull \hbox (badness 10000) in paragraph at lines 6257--6258 [136] Underfull \hbox (badness 10000) in paragraph at lines 6290--6291 Underfull \hbox (badness 10000) in paragraph at lines 6310--6311 [137] Underfull \hbox (badness 10000) in paragraph at lines 6332--6333 Overfull \hbox (3.28027pt too wide) in paragraph at lines 6364--6364 [] \OT1/cmtt/m/n/10.95 rfir1 : first real interstitial function in real-spa ce (in,real(ngtot))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 6364--6364 [] \OT1/cmtt/m/n/10.95 rfmt2 : second function in real spherical harmonics for all muffin-tins[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6364--6364 [] \OT1/cmtt/m/n/10.95 rfir2 : second real interstitial function in real-sp ace (in,real(ngtot))[] Underfull \hbox (badness 10000) in paragraph at lines 6365--6366 [138] Underfull \hbox (badness 10000) in paragraph at lines 6394--6395 Underfull \hbox (badness 10000) in paragraph at lines 6417--6418 [139] Underfull \hbox (badness 10000) in paragraph at lines 6440--6441 Overfull \hbox (9.02896pt too wide) in paragraph at lines 6464--6464 [] \OT1/cmtt/m/n/10.95 nri : number of radial mesh points on the inner pa rt of the muffin-tin[] Underfull \hbox (badness 10000) in paragraph at lines 6465--6466 [140] Underfull \hbox (badness 10000) in paragraph at lines 6489--6490 Underfull \hbox (badness 10000) in paragraph at lines 6511--6512 [141] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6541--6541 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,int eger(ngkmax,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 6541--6541 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (in,complex( nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 6542--6543 [142] Underfull \hbox (badness 10000) in paragraph at lines 6573--6574 Underfull \hbox (badness 10000) in paragraph at lines 6592--6593 [143] Underfull \hbox (badness 10000) in paragraph at lines 6615--6616 Underfull \hbox (badness 10000) in paragraph at lines 6638--6639 [144] Underfull \hbox (badness 10000) in paragraph at lines 6673--6674 Underfull \hbox (badness 10000) in paragraph at lines 6725--6726 [145] Underfull \hbox (badness 10000) in paragraph at lines 6752--6753 [146] Overfull \hbox (14.77765pt too wide) in paragraph at lines 6799--6799 [] \OT1/cmtt/m/n/10.95 zflm1 : coefficients of the complex spherical harmon ic expansion for each[] Underfull \hbox (badness 10000) in paragraph at lines 6800--6801 [147] Underfull \hbox (badness 10000) in paragraph at lines 6834--6835 Overfull \hbox (9.02896pt too wide) in paragraph at lines 6873--6873 [] \OT1/cmtt/m/n/10.95 rflm : coefficients of real spherical harmonic expan sion (in,real(ld,n))[] Underfull \hbox (badness 10000) in paragraph at lines 6874--6875 [148] Underfull \hbox (badness 10000) in paragraph at lines 6903--6904 [149] Underfull \hbox (badness 10000) in paragraph at lines 6925--6926 Underfull \hbox (badness 10000) in paragraph at lines 6955--6956 [150] Underfull \hbox (badness 10000) in paragraph at lines 6987--6988 [151] Underfull \hbox (badness 10000) in paragraph at lines 7015--7016 Underfull \hbox (badness 10000) in paragraph at lines 7050--7051 [152] Underfull \hbox (badness 10000) in paragraph at lines 7069--7070 Underfull \hbox (badness 10000) in paragraph at lines 7089--7090 [153] Underfull \hbox (badness 10000) in paragraph at lines 7116--7117 Underfull \hbox (badness 10000) in paragraph at lines 7139--7140 [154] Underfull \hbox (badness 10000) in paragraph at lines 7165--7166 Underfull \hbox (badness 10000) in paragraph at lines 7193--7194 [155] Underfull \hbox (badness 10000) in paragraph at lines 7220--7221 Underfull \hbox (badness 10000) in paragraph at lines 7240--7241 [156] Underfull \hbox (badness 10000) in paragraph at lines 7262--7263 Underfull \hbox (badness 10000) in paragraph at lines 7290--7291 [157] Underfull \hbox (badness 10000) in paragraph at lines 7313--7314 Underfull \hbox (badness 10000) in paragraph at lines 7337--7338 [158] Underfull \hbox (badness 10000) in paragraph at lines 7358--7359 Underfull \hbox (badness 10000) in paragraph at lines 7378--7379 [159] Underfull \hbox (badness 10000) in paragraph at lines 7407--7408 Underfull \hbox (badness 10000) in paragraph at lines 7430--7431 [160] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7468--7468 [] \OT1/cmtt/m/n/10.95 nri : number of radial points on the inner part (in ,integer(nspecies))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7468--7468 [] \OT1/cmtt/m/n/10.95 np : total number of points in each muffin-tin (in ,integer(nspecies))[] Underfull \hbox (badness 10000) in paragraph at lines 7469--7470 Underfull \hbox (badness 10000) in paragraph at lines 7498--7499 [161] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7517--7517 [] \OT1/cmtt/m/n/10.95 subroutine symrvf(tspin,tnc,nr,nri,np,ngdg,ngt,ngv,igf,l d1,rvfmt,ld2,rvfir) Overfull \hbox (3.28027pt too wide) in paragraph at lines 7533--7533 [] \OT1/cmtt/m/n/10.95 nr : number of radial points for each species (in ,integer(nspecies))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 7533--7533 [] \OT1/cmtt/m/n/10.95 nri : number of radial points on the inner part (i n,integer(nspecies))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 7533--7533 [] \OT1/cmtt/m/n/10.95 np : total number of points in each muffin-tin (i n,integer(nspecies))[] Underfull \hbox (badness 10000) in paragraph at lines 7534--7535 [162] Underfull \hbox (badness 10000) in paragraph at lines 7571--7572 Overfull \hbox (14.77765pt too wide) in paragraph at lines 7590--7590 [] \OT1/cmtt/m/n/10.95 vca : vectors in Cartesian coordinates for all atoms (in,real(3,natmtot)) Underfull \hbox (badness 10000) in paragraph at lines 7591--7592 [163] Underfull \hbox (badness 10000) in paragraph at lines 7610--7611 Underfull \hbox (badness 10000) in paragraph at lines 7633--7634 [164] Underfull \hbox (badness 10000) in paragraph at lines 7675--7676 [165] Underfull \hbox (badness 10000) in paragraph at lines 7727--7728 [166] Underfull \hbox (badness 10000) in paragraph at lines 7747--7748 Underfull \hbox (badness 10000) in paragraph at lines 7770--7771 Underfull \hbox (badness 10000) in paragraph at lines 7789--7790 [167] Overfull \hbox (20.52634pt too wide) in paragraph at lines 7822--7822 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] Underfull \hbox (badness 10000) in paragraph at lines 7823--7824 [168] Underfull \hbox (badness 10000) in paragraph at lines 7859--7860 Underfull \hbox (badness 10000) in paragraph at lines 7889--7890 [169] Underfull \hbox (badness 10000) in paragraph at lines 7911--7912 Underfull \hbox (badness 10000) in paragraph at lines 7937--7938 [170] Underfull \hbox (badness 10000) in paragraph at lines 7956--7957 Underfull \hbox (badness 10000) in paragraph at lines 7974--7975 [171] Underfull \hbox (badness 10000) in paragraph at lines 7996--7997 Underfull \hbox (badness 10000) in paragraph at lines 8016--8017 [172] Underfull \hbox (badness 10000) in paragraph at lines 8040--8041 Underfull \hbox (badness 10000) in paragraph at lines 8060--8061 [173] Underfull \hbox (badness 10000) in paragraph at lines 8079--8080 Overfull \hbox (16.14984pt too wide) in paragraph at lines 8082--8084 []\OT1/cmr/m/n/10.95 Writes the lin-eari-sa-tion en-er-gies for all APW and loc al-orbital func-tions to the file \OT1/cmtt/m/n/10.95 LINENGY.OUT\OT1/cmr/m/n/1 0.95 . Underfull \hbox (badness 10000) in paragraph at lines 8099--8100 Underfull \hbox (badness 10000) in paragraph at lines 8119--8120 [174] Underfull \hbox (badness 10000) in paragraph at lines 8139--8140 Underfull \hbox (badness 10000) in paragraph at lines 8162--8163 [175] Underfull \hbox (badness 10000) in paragraph at lines 8190--8191 Underfull \hbox (badness 10000) in paragraph at lines 8214--8215 [176] Underfull \hbox (badness 10000) in paragraph at lines 8235--8236 Underfull \hbox (badness 10000) in paragraph at lines 8263--8264 [177] Underfull \hbox (badness 10000) in paragraph at lines 8289--8290 Underfull \hbox (badness 10000) in paragraph at lines 8310--8311 [178] Underfull \hbox (badness 10000) in paragraph at lines 8330--8331 Underfull \hbox (badness 10000) in paragraph at lines 8352--8353 [179] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8372--8372 [] \OT1/cmtt/m/n/10.95 subroutine xc_pbe(n,kappa,mu,beta,rhoup,rhodn,grho,gup,g dn,g2up,g2dn,g3rho, & Underfull \hbox (badness 10000) in paragraph at lines 8393--8394 [180] Underfull \hbox (badness 10000) in paragraph at lines 8425--8426 Underfull \hbox (badness 10000) in paragraph at lines 8451--8452 [181] Underfull \hbox (badness 10000) in paragraph at lines 8480--8481 Underfull \hbox (badness 10000) in paragraph at lines 8504--8505 [182] Underfull \hbox (badness 10000) in paragraph at lines 8527--8528 Overfull \hbox (3.28027pt too wide) in paragraph at lines 8555--8555 [] \OT1/cmtt/m/n/10.95 dy : rotation matrix for complex spherical harmoni cs (out,real(ld,*))[] Underfull \hbox (badness 10000) in paragraph at lines 8556--8557 [183] Underfull \hbox (badness 10000) in paragraph at lines 8585--8586 Underfull \hbox (badness 10000) in paragraph at lines 8606--8607 [184] Underfull \hbox (badness 10000) in paragraph at lines 8627--8628 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8651--8651 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8652--8653 [185] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8677--8677 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8678--8679 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8709--8709 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8710--8711 [186] Underfull \hbox (badness 10000) in paragraph at lines 8737--8738 [187] Underfull \hbox (badness 10000) in paragraph at lines 8767--8768 Overfull \hbox (3.28027pt too wide) in paragraph at lines 8799--8799 [] \OT1/cmtt/m/n/10.95 wpr : weights for partial integration on radial m esh (in,real(4,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 8800--8801 [188] Overfull \hbox (32.02371pt too wide) in paragraph at lines 8823--8823 [] \OT1/cmtt/m/n/10.95 subroutine zpotcoul(nr,nri,np,ld1,rl,ngdg,igf,ngp,gpc,gc lgp,ld2,jlgprmt,ylmgp, & Overfull \hbox (14.77765pt too wide) in paragraph at lines 8847--8847 [] \OT1/cmtt/m/n/10.95 nr : number of radial points for each species ( in,integer(nspecies)) Overfull \hbox (14.77765pt too wide) in paragraph at lines 8847--8847 [] \OT1/cmtt/m/n/10.95 jlgprmt : spherical Bessel functions for evergy G+p- vector and muffin-tin[] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8847--8847 [] \OT1/cmtt/m/n/10.95 ylmgp : spherical harmonics of the G+p-vectors (in ,complex(lmmaxo,ngp))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 8847--8847 [] \OT1/cmtt/m/n/10.95 sfacgp : structure factors of the G+p-vectors (in,c omplex(ld2,natmtot))[] Underfull \hbox (badness 10000) in paragraph at lines 8848--8849 [189] [190] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8925--8925 [] \OT1/cmtt/m/n/10.95 rflm : coefficients of real spherical harmonic expan sion (out,real(ld,n))[] Underfull \hbox (badness 10000) in paragraph at lines 8926--8927 [191] (./elk.aux) ) (see the transcript file for additional information) Output written on elk.pdf (191 pages, 720582 bytes). Transcript written on elk.log. make[2]: Leaving directory '/build/reproducible-path/elkcode-9.6.8/src' (cd src/spacegroup; /usr/bin/make doc) make[2]: Entering directory '/build/reproducible-path/elkcode-9.6.8/src/spacegroup' ../protex -s main.f90 modmain.f90 readinput.f90 gencrystal.f90 sgsymb.f90 seitzgen.f90 gengroup.f90 seitzeq.f90 seitzmul.f90 writegeom.f90 geomplot.f90 findprimcell.f90 r3frac.f90 r3mv.f90 r3cross.f90 r3minv.f90 r3mm.f90 > spacegroup.tex pdflatex spacegroup;pdflatex spacegroup;pdflatex spacegroup This is pdfTeX, Version 3.141592653-2.6-1.40.26 (TeX Live 2025/dev/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./spacegroup.tex LaTeX2e <2024-06-01> patch level 2 L3 programming layer <2024-05-27> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2024/02/08 v1.4n Standard LaTeX document class (/usr/share/texlive/texmf-dist/tex/latex/base/size11.clo)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsmath.sty For additional information on amsmath, use the `?' option. (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amstext.sty (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsgen.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsbsy.sty) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsopn.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amssymb.sty (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amsfonts.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/epsfig.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphicx.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/keyval.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphics.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/trig.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/graphics.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics-def/pdftex.def)))) (/usr/share/texlive/texmf-dist/tex/latex/tools/tabularx.sty (/usr/share/texlive/texmf-dist/tex/latex/tools/array.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/color.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/color.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics/mathcolor.ltx)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hyperref.sty (/usr/share/texlive/texmf-dist/tex/generic/iftex/iftex.sty) (/usr/share/texlive/texmf-dist/tex/latex/kvsetkeys/kvsetkeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/kvdefinekeys/kvdefinekeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdfescape/pdfescape.sty (/usr/share/texlive/texmf-dist/tex/generic/ltxcmds/ltxcmds.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdftexcmds/pdftexcmds.sty (/usr/share/texlive/texmf-dist/tex/generic/infwarerr/infwarerr.sty))) (/usr/share/texlive/texmf-dist/tex/latex/hycolor/hycolor.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/nameref.sty (/usr/share/texlive/texmf-dist/tex/latex/refcount/refcount.sty) (/usr/share/texlive/texmf-dist/tex/generic/gettitlestring/gettitlestring.sty (/usr/share/texlive/texmf-dist/tex/latex/kvoptions/kvoptions.sty))) (/usr/share/texlive/texmf-dist/tex/latex/etoolbox/etoolbox.sty) (/usr/share/texlive/texmf-dist/tex/generic/stringenc/stringenc.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/pd1enc.def) (/usr/share/texlive/texmf-dist/tex/generic/intcalc/intcalc.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/puenc.def) (/usr/share/texlive/texmf-dist/tex/latex/url/url.sty) (/usr/share/texlive/texmf-dist/tex/generic/bitset/bitset.sty (/usr/share/texlive/texmf-dist/tex/generic/bigintcalc/bigintcalc.sty)) (/usr/share/texlive/texmf-dist/tex/latex/base/atbegshi-ltx.sty)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hpdftex.def (/usr/share/texlive/texmf-dist/tex/latex/base/atveryend-ltx.sty) (/usr/share/texlive/texmf-dist/tex/latex/rerunfilecheck/rerunfilecheck.sty (/usr/share/texlive/texmf-dist/tex/generic/uniquecounter/uniquecounter.sty))) (/usr/share/texlive/texmf-dist/tex/latex/l3backend/l3backend-pdftex.def) No file spacegroup.aux. (/usr/share/texlive/texmf-dist/tex/context/base/mkii/supp-pdf.mkii [Loading MPS to PDF converter (version 2006.09.02).] ) (/usr/share/texlive/texmf-dist/tex/latex/epstopdf-pkg/epstopdf-base.sty (/usr/share/texlive/texmf-dist/tex/latex/latexconfig/epstopdf-sys.cfg)) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsa.fd) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsb.fd) Overfull \hbox (17.24997pt too wide) in paragraph at lines 73--75 [][][][] Underfull \hbox (badness 10000) in paragraph at lines 73--75 [1{/var/lib/texmf/fonts/map/pdftex/updmap/pdftex.map}] No file spacegroup.toc. [2] [3] [4] Overfull \vbox (38.86952pt too high) has occurred while \output is active [5] Overfull \vbox (38.86952pt too high) has occurred while \output is active [6] Overfull \vbox (38.86952pt too high) has occurred while \output is active [7] Overfull \vbox (38.86952pt too high) has occurred while \output is active [8] Overfull \vbox (38.86952pt too high) has occurred while \output is active [9] Overfull \vbox (38.86952pt too high) has occurred while \output is active [10] Overfull \vbox (38.86952pt too high) has occurred while \output is active [11] Overfull \vbox (38.86952pt too high) has occurred while \output is active [12] Overfull \vbox (38.86952pt too high) has occurred while \output is active [13] Overfull \vbox (38.86952pt too high) has occurred while \output is active [14] [15] Underfull \hbox (badness 10000) in paragraph at lines 791--792 Underfull \hbox (badness 10000) in paragraph at lines 812--813 [16] Underfull \hbox (badness 10000) in paragraph at lines 835--836 Underfull \hbox (badness 10000) in paragraph at lines 858--859 Underfull \hbox (badness 10000) in paragraph at lines 878--879 [17] Underfull \hbox (badness 10000) in paragraph at lines 897--898 Underfull \hbox (badness 10000) in paragraph at lines 917--918 [18] (./spacegroup.aux) LaTeX Warning: Label(s) may have changed. Rerun to get cross-references right. Package rerunfilecheck Warning: File `spacegroup.out' has changed. (rerunfilecheck) Rerun to get outlines right (rerunfilecheck) or use package `bookmark'. ) (see the transcript file for additional information) Output written on spacegroup.pdf (18 pages, 191519 bytes). Transcript written on spacegroup.log. This is pdfTeX, Version 3.141592653-2.6-1.40.26 (TeX Live 2025/dev/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./spacegroup.tex LaTeX2e <2024-06-01> patch level 2 L3 programming layer <2024-05-27> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2024/02/08 v1.4n Standard LaTeX document class (/usr/share/texlive/texmf-dist/tex/latex/base/size11.clo)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsmath.sty For additional information on amsmath, use the `?' option. (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amstext.sty (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsgen.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsbsy.sty) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsopn.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amssymb.sty (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amsfonts.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/epsfig.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphicx.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/keyval.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphics.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/trig.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/graphics.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics-def/pdftex.def)))) (/usr/share/texlive/texmf-dist/tex/latex/tools/tabularx.sty (/usr/share/texlive/texmf-dist/tex/latex/tools/array.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/color.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/color.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics/mathcolor.ltx)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hyperref.sty (/usr/share/texlive/texmf-dist/tex/generic/iftex/iftex.sty) (/usr/share/texlive/texmf-dist/tex/latex/kvsetkeys/kvsetkeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/kvdefinekeys/kvdefinekeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdfescape/pdfescape.sty (/usr/share/texlive/texmf-dist/tex/generic/ltxcmds/ltxcmds.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdftexcmds/pdftexcmds.sty (/usr/share/texlive/texmf-dist/tex/generic/infwarerr/infwarerr.sty))) (/usr/share/texlive/texmf-dist/tex/latex/hycolor/hycolor.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/nameref.sty (/usr/share/texlive/texmf-dist/tex/latex/refcount/refcount.sty) (/usr/share/texlive/texmf-dist/tex/generic/gettitlestring/gettitlestring.sty (/usr/share/texlive/texmf-dist/tex/latex/kvoptions/kvoptions.sty))) (/usr/share/texlive/texmf-dist/tex/latex/etoolbox/etoolbox.sty) (/usr/share/texlive/texmf-dist/tex/generic/stringenc/stringenc.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/pd1enc.def) (/usr/share/texlive/texmf-dist/tex/generic/intcalc/intcalc.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/puenc.def) (/usr/share/texlive/texmf-dist/tex/latex/url/url.sty) (/usr/share/texlive/texmf-dist/tex/generic/bitset/bitset.sty (/usr/share/texlive/texmf-dist/tex/generic/bigintcalc/bigintcalc.sty)) (/usr/share/texlive/texmf-dist/tex/latex/base/atbegshi-ltx.sty)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hpdftex.def (/usr/share/texlive/texmf-dist/tex/latex/base/atveryend-ltx.sty) (/usr/share/texlive/texmf-dist/tex/latex/rerunfilecheck/rerunfilecheck.sty (/usr/share/texlive/texmf-dist/tex/generic/uniquecounter/uniquecounter.sty))) (/usr/share/texlive/texmf-dist/tex/latex/l3backend/l3backend-pdftex.def) (./spacegroup.aux) (/usr/share/texlive/texmf-dist/tex/context/base/mkii/supp-pdf.mkii [Loading MPS to PDF converter (version 2006.09.02).] ) (/usr/share/texlive/texmf-dist/tex/latex/epstopdf-pkg/epstopdf-base.sty (/usr/share/texlive/texmf-dist/tex/latex/latexconfig/epstopdf-sys.cfg)) (./spacegroup.out) (./spacegroup.out) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsa.fd) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsb.fd) Overfull \hbox (17.24997pt too wide) in paragraph at lines 73--75 [][][][] Underfull \hbox (badness 10000) in paragraph at lines 73--75 [1{/var/lib/texmf/fonts/map/pdftex/updmap/pdftex.map}] (./spacegroup.toc) [2] [3] [4] Overfull \vbox (38.86952pt too high) has occurred while \output is active [5] Overfull \vbox (38.86952pt too high) has occurred while \output is active [6] Overfull \vbox (38.86952pt too high) has occurred while \output is active [7] Overfull \vbox (38.86952pt too high) has occurred while \output is active [8] Overfull \vbox (38.86952pt too high) has occurred while \output is active [9] Overfull \vbox (38.86952pt too high) has occurred while \output is active [10] Overfull \vbox (38.86952pt too high) has occurred while \output is active [11] Overfull \vbox (38.86952pt too high) has occurred while \output is active [12] Overfull \vbox (38.86952pt too high) has occurred while \output is active [13] Overfull \vbox (38.86952pt too high) has occurred while \output is active [14] [15] Underfull \hbox (badness 10000) in paragraph at lines 791--792 Underfull \hbox (badness 10000) in paragraph at lines 812--813 [16] Underfull \hbox (badness 10000) in paragraph at lines 835--836 Underfull \hbox (badness 10000) in paragraph at lines 858--859 Underfull \hbox (badness 10000) in paragraph at lines 878--879 [17] Underfull \hbox (badness 10000) in paragraph at lines 897--898 Underfull \hbox (badness 10000) in paragraph at lines 917--918 [18] (./spacegroup.aux) ) (see the transcript file for additional information) Output written on spacegroup.pdf (18 pages, 198924 bytes). Transcript written on spacegroup.log. This is pdfTeX, Version 3.141592653-2.6-1.40.26 (TeX Live 2025/dev/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./spacegroup.tex LaTeX2e <2024-06-01> patch level 2 L3 programming layer <2024-05-27> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2024/02/08 v1.4n Standard LaTeX document class (/usr/share/texlive/texmf-dist/tex/latex/base/size11.clo)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsmath.sty For additional information on amsmath, use the `?' option. (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amstext.sty (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsgen.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsbsy.sty) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsopn.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amssymb.sty (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amsfonts.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/epsfig.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphicx.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/keyval.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphics.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/trig.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/graphics.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics-def/pdftex.def)))) (/usr/share/texlive/texmf-dist/tex/latex/tools/tabularx.sty (/usr/share/texlive/texmf-dist/tex/latex/tools/array.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/color.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/color.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics/mathcolor.ltx)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hyperref.sty (/usr/share/texlive/texmf-dist/tex/generic/iftex/iftex.sty) (/usr/share/texlive/texmf-dist/tex/latex/kvsetkeys/kvsetkeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/kvdefinekeys/kvdefinekeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdfescape/pdfescape.sty (/usr/share/texlive/texmf-dist/tex/generic/ltxcmds/ltxcmds.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdftexcmds/pdftexcmds.sty (/usr/share/texlive/texmf-dist/tex/generic/infwarerr/infwarerr.sty))) (/usr/share/texlive/texmf-dist/tex/latex/hycolor/hycolor.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/nameref.sty (/usr/share/texlive/texmf-dist/tex/latex/refcount/refcount.sty) (/usr/share/texlive/texmf-dist/tex/generic/gettitlestring/gettitlestring.sty (/usr/share/texlive/texmf-dist/tex/latex/kvoptions/kvoptions.sty))) (/usr/share/texlive/texmf-dist/tex/latex/etoolbox/etoolbox.sty) (/usr/share/texlive/texmf-dist/tex/generic/stringenc/stringenc.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/pd1enc.def) (/usr/share/texlive/texmf-dist/tex/generic/intcalc/intcalc.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/puenc.def) (/usr/share/texlive/texmf-dist/tex/latex/url/url.sty) (/usr/share/texlive/texmf-dist/tex/generic/bitset/bitset.sty (/usr/share/texlive/texmf-dist/tex/generic/bigintcalc/bigintcalc.sty)) (/usr/share/texlive/texmf-dist/tex/latex/base/atbegshi-ltx.sty)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hpdftex.def (/usr/share/texlive/texmf-dist/tex/latex/base/atveryend-ltx.sty) (/usr/share/texlive/texmf-dist/tex/latex/rerunfilecheck/rerunfilecheck.sty (/usr/share/texlive/texmf-dist/tex/generic/uniquecounter/uniquecounter.sty))) (/usr/share/texlive/texmf-dist/tex/latex/l3backend/l3backend-pdftex.def) (./spacegroup.aux) (/usr/share/texlive/texmf-dist/tex/context/base/mkii/supp-pdf.mkii [Loading MPS to PDF converter (version 2006.09.02).] ) (/usr/share/texlive/texmf-dist/tex/latex/epstopdf-pkg/epstopdf-base.sty (/usr/share/texlive/texmf-dist/tex/latex/latexconfig/epstopdf-sys.cfg)) (./spacegroup.out) (./spacegroup.out) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsa.fd) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsb.fd) Overfull \hbox (17.24997pt too wide) in paragraph at lines 73--75 [][][][] Underfull \hbox (badness 10000) in paragraph at lines 73--75 [1{/var/lib/texmf/fonts/map/pdftex/updmap/pdftex.map}] (./spacegroup.toc) [2] [3] [4] Overfull \vbox (38.86952pt too high) has occurred while \output is active [5] Overfull \vbox (38.86952pt too high) has occurred while \output is active [6] Overfull \vbox (38.86952pt too high) has occurred while \output is active [7] Overfull \vbox (38.86952pt too high) has occurred while \output is active [8] Overfull \vbox (38.86952pt too high) has occurred while \output is active [9] Overfull \vbox (38.86952pt too high) has occurred while \output is active [10] Overfull \vbox (38.86952pt too high) has occurred while \output is active [11] Overfull \vbox (38.86952pt too high) has occurred while \output is active [12] Overfull \vbox (38.86952pt too high) has occurred while \output is active [13] Overfull \vbox (38.86952pt too high) has occurred while \output is active [14] [15] Underfull \hbox (badness 10000) in paragraph at lines 791--792 Underfull \hbox (badness 10000) in paragraph at lines 812--813 [16] Underfull \hbox (badness 10000) in paragraph at lines 835--836 Underfull \hbox (badness 10000) in paragraph at lines 858--859 Underfull \hbox (badness 10000) in paragraph at lines 878--879 [17] Underfull \hbox (badness 10000) in paragraph at lines 897--898 Underfull \hbox (badness 10000) in paragraph at lines 917--918 [18] (./spacegroup.aux) ) (see the transcript file for additional information) Output written on spacegroup.pdf (18 pages, 198924 bytes). Transcript written on spacegroup.log. make[2]: Leaving directory '/build/reproducible-path/elkcode-9.6.8/src/spacegroup' make[1]: Leaving directory '/build/reproducible-path/elkcode-9.6.8' debian/rules override_dh_auto_test make[1]: Entering directory '/build/reproducible-path/elkcode-9.6.8' (cd tests; OMPI_MCA_orte_rsh_agent=/bin/false bash ./tests_quick.sh) Running test in directory test_001... +---------------------------------+ | Elk code version 9.6.08 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 20 Total number of threads (MPI x OpenMP) : 20 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 20 Number of MKL threads : 20 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ Info(checkmt): changed muffin-tin radius of species 3 (Cu) from 2.4000 to 1.9694 Info(checkmt): changed muffin-tin radius of species 4 (O) from 1.8000 to 1.4770 Info(findsymcrys): atomic basis shift (lattice) : 0.5000000000 0.5000000000 0.5000000000 See GEOMETRY.OUT for new atomic positions Warning(gndstate): failed to reach self-consistency after 4 loops +-----------------------+ | Current task : 1 | +-----------------------+ Warning(gndstate): failed to reach self-consistency after 4 loops +-----------------------+ | Current task : 115 | +-----------------------+ Info(writeefg): electric field gradient written to EFG.OUT +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_002... +---------------------------------+ | Elk code version 9.6.08 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 20 Total number of threads (MPI x OpenMP) : 20 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 20 Number of MKL threads : 20 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ Info(checkmt): changed muffin-tin radius of species 1 (Fe) from 2.4000 to 2.3202 Warning(gndstate): failed to reach self-consistency after 5 loops +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_003... +---------------------------------+ | Elk code version 9.6.08 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 20 Total number of threads (MPI x OpenMP) : 20 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 20 Number of MKL threads : 20 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ Info(checkmt): changed muffin-tin radius of species 1 (Si) from 2.2000 to 2.1436 Info(findsymcrys): atomic basis shift (lattice) : 0.3650000000 0.3650000000 0.3650000000 See GEOMETRY.OUT for new atomic positions Warning(gndstate): failed to reach self-consistency after 10 loops +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_005... +---------------------------------+ | Elk code version 9.6.08 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 20 Total number of threads (MPI x OpenMP) : 20 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 20 Number of MKL threads : 20 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ Info(checkmt): changed muffin-tin radius of species 1 (Fe) from 2.4000 to 2.3615 Warning(gndstate): failed to reach self-consistency after 5 loops +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_007... +---------------------------------+ | Elk code version 9.6.08 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 20 Total number of threads (MPI x OpenMP) : 20 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 20 Number of MKL threads : 20 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ +-----------------------+ | Current task : 15 | +-----------------------+ Info(writelsj): muffin-tin L, S and J expectation values written to LSJ.OUT +-----------------------+ | Current task : 16 | +-----------------------+ Info(writelsj): muffin-tin L, S and J expectation values for each k-point and state in kstlist written to LSJ_KST.OUT +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_009... +---------------------------------+ | Elk code version 9.6.08 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 20 Total number of threads (MPI x OpenMP) : 20 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 20 Number of MKL threads : 20 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ Info(checkmt): changed muffin-tin radius of species 1 (B) from 1.8000 to 1.6129 Info(checkmt): changed muffin-tin radius of species 2 (N+) from 1.4500 to 1.2993 Warning(gndstate): failed to reach self-consistency after 6 loops +-----------------------+ | Current task : 140 | +-----------------------+ Info(elnes): 1 of 8 k-points Info(elnes): 7 of 8 k-points Info(elnes): 3 of 8 k-points Info(elnes): 4 of 8 k-points Info(elnes): 5 of 8 k-points Info(elnes): 6 of 8 k-points Info(elnes): 8 of 8 k-points Info(elnes): 2 of 8 k-points Info(elnes): ELNES double differential cross-section written to ELNES.OUT +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_010... +---------------------------------+ | Elk code version 9.6.08 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 20 Total number of threads (MPI x OpenMP) : 20 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 20 Number of MKL threads : 20 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ Info(checkmt): changed muffin-tin radius of species 1 (O) from 1.8000 to 0.9906 Info(checkmt): changed muffin-tin radius of species 2 (H) from 1.4000 to 0.7704 Warning(linengy): could not find 1 linearisation energies in s.c. loop 1 Warning(gndstate): failed to reach self-consistency after 2 loops Warning(linengy): could not find 1 linearisation energies in s.c. loop 2 +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_011... +---------------------------------+ | Elk code version 9.6.08 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 20 Total number of threads (MPI x OpenMP) : 20 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 20 Number of MKL threads : 20 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ Info(checkmt): changed muffin-tin radius of species 1 (Si) from 2.2000 to 2.1964 Info(findsymcrys): atomic basis shift (lattice) : 0.3750000000 0.3750000000 0.3750000000 See GEOMETRY.OUT for new atomic positions Warning(gndstate): failed to reach self-consistency after 2 loops +-----------------------+ | Current task : 5 | +-----------------------+ Info(genkmat): 2 of 2 k-points Info(genkmat): 1 of 2 k-points Info(hartfock): self-consistent loop number : 1 Info(eveqnhf): 1 of 2 k-points Info(eveqnhf): 2 of 2 k-points Info(hartfock): self-consistent loop number : 2 Info(eveqnhf): 1 of 2 k-points Info(eveqnhf): 2 of 2 k-points Info(exxengy): 1 of 2 k-points Info(exxengy): 2 of 2 k-points +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_013... +---------------------------------+ | Elk code version 9.6.08 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 20 Total number of threads (MPI x OpenMP) : 20 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 20 Number of MKL threads : 20 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ Info(checkmt): changed muffin-tin radius of species 1 (Fe) from 2.4000 to 2.3828 Info(checkmt): changed muffin-tin radius of species 2 (Al) from 2.2000 to 2.1842 Warning(gndstate): failed to reach self-consistency after 4 loops +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_014... +---------------------------------+ | Elk code version 9.6.08 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 20 Total number of threads (MPI x OpenMP) : 20 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 20 Number of MKL threads : 20 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ Info(checkmt): changed muffin-tin radius of species 1 (Si) from 2.2000 to 2.1964 Info(findsymcrys): atomic basis shift (lattice) : 0.3750000000 0.3750000000 0.3750000000 See GEOMETRY.OUT for new atomic positions Info(oepvcl): 6 of 8 k-points Info(oepvcl): 4 of 8 k-points Info(oepvcl): 2 of 8 k-points Info(oepvcl): 5 of 8 k-points Info(oepvcl): 1 of 8 k-points Info(oepvcl): 7 of 8 k-points Info(oepvcl): 8 of 8 k-points Info(oepvcl): 3 of 8 k-points Info(oepmain): done 10 iterations of 20 Info(oepmain): done 20 iterations of 20 Warning(gndstate): failed to reach self-consistency after 2 loops Info(oepvcl): 6 of 8 k-points Info(oepvcl): 4 of 8 k-points Info(oepvcl): 5 of 8 k-points Info(oepvcl): 1 of 8 k-points Info(oepvcl): 3 of 8 k-points Info(oepvcl): 7 of 8 k-points Info(oepvcl): 8 of 8 k-points Info(oepvcl): 2 of 8 k-points Info(oepmain): done 10 iterations of 20 Info(oepmain): done 20 iterations of 20 Info(exxengy): 5 of 8 k-points Info(exxengy): 2 of 8 k-points Info(exxengy): 8 of 8 k-points Info(exxengy): 3 of 8 k-points Info(exxengy): 7 of 8 k-points Info(exxengy): 4 of 8 k-points Info(exxengy): 6 of 8 k-points Info(exxengy): 1 of 8 k-points +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_018... +---------------------------------+ | Elk code version 9.6.08 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 20 Total number of threads (MPI x OpenMP) : 20 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 20 Number of MKL threads : 20 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ +-----------------------+ | Current task : 205 | +-----------------------+ Info(phonon): working on DYN_Q0000_0000_0000_S01_A001_P1.OUT Info(phonon): working on DYN_Q0102_0000_0000_S01_A001_P1.OUT Info(phonon): working on DYN_Q0102_0102_0102_S01_A001_P1.OUT Info(phonon): working on DYN_Q0000_0000_0000_S01_A001_P2.OUT Info(phonon): working on DYN_Q0102_0000_0000_S01_A001_P2.OUT Info(phonon): working on DYN_Q0102_0102_0102_S01_A001_P2.OUT Info(phonon): working on DYN_Q0000_0000_0000_S01_A001_P3.OUT Info(phonon): working on DYN_Q0102_0000_0000_S01_A001_P3.OUT Info(phonon): working on DYN_Q0102_0102_0102_S01_A001_P3.OUT Info(dyntask): nothing more to do +-----------------------+ | Current task : 210 | +-----------------------+ Info(phdos): phonon density of states written to PHDOS.OUT thermodynamic properties written to THERMO.OUT +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed for i in tests/test-*/test.log; do \ if [ -e $i ]; then \ echo "Error for test $i:"; \ sed -n -e '/^Error/,$p' $i; \ fi \ done make[1]: Leaving directory '/build/reproducible-path/elkcode-9.6.8' create-stamp debian/debhelper-build-stamp fakeroot debian/rules binary dh binary dh_testroot dh_prep dh_installdirs dh_auto_install --destdir=debian/elk-lapw/ debian/rules override_dh_install make[1]: Entering directory '/build/reproducible-path/elkcode-9.6.8' dh_install mv /build/reproducible-path/elkcode-9.6.8/debian/elk-lapw/usr/bin/xps_exc.pl \ /build/reproducible-path/elkcode-9.6.8/debian/elk-lapw/usr/bin/xps_exc mv /build/reproducible-path/elkcode-9.6.8/debian/elk-lapw/usr/bin/elk \ /build/reproducible-path/elkcode-9.6.8/debian/elk-lapw/usr/bin/elk-lapw #bug #720044 make[1]: Leaving directory '/build/reproducible-path/elkcode-9.6.8' dh_installdocs debian/rules override_dh_installchangelogs make[1]: Entering directory '/build/reproducible-path/elkcode-9.6.8' dh_installchangelogs release_notes.txt make[1]: Leaving directory '/build/reproducible-path/elkcode-9.6.8' dh_installexamples dh_installman dh_perl dh_link dh_strip_nondeterminism dh_compress dh_fixperms dh_missing dh_dwz -a dwz: debian/elk-lapw/usr/bin/elk-lapw: DWARF compression not beneficial - old size 1527601 new size 1547105 dh_strip -a dh_makeshlibs -a dh_shlibdeps -a dh_installdeb dh_gencontrol dpkg-gencontrol: warning: package elk-lapw: substitution variable ${perl:Depends} unused, but is defined dpkg-gencontrol: warning: package elk-lapw: substitution variable ${perl:Depends} unused, but is defined dh_md5sums dh_builddeb dpkg-deb: building package 'elk-lapw-dbgsym' in '../elk-lapw-dbgsym_9.6.8-1_amd64.deb'. dpkg-deb: building package 'elk-lapw' in '../elk-lapw_9.6.8-1_amd64.deb'. dpkg-genbuildinfo --build=binary -O../elkcode_9.6.8-1_amd64.buildinfo dpkg-genchanges --build=binary -O../elkcode_9.6.8-1_amd64.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: including full source code in upload I: copying local configuration I: user script /srv/workspace/pbuilder/2501843/tmp/hooks/B01_cleanup starting I: user script /srv/workspace/pbuilder/2501843/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/2501843 and its subdirectories I: Current time: Tue Aug 20 21:11:07 +14 2024 I: pbuilder-time-stamp: 1724137867