Diff of the two buildlogs: -- --- b1/build.log 2024-05-14 19:13:24.762420255 +0000 +++ b2/build.log 2024-05-14 19:15:23.045386088 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Tue May 14 07:11:38 -12 2024 -I: pbuilder-time-stamp: 1715713898 +I: Current time: Tue Jun 17 15:36:28 +14 2025 +I: pbuilder-time-stamp: 1750124188 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz] I: copying local configuration @@ -30,52 +30,84 @@ dpkg-source: info: applying disable_failing_tests.patch I: using fakeroot in build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/3413776/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/3209202/tmp/hooks/D01_modify_environment starting +debug: Running on codethink03-arm64. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +'/bin/sh' -> '/bin/bash' +lrwxrwxrwx 1 root root 9 Jun 17 01:36 /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/3209202/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/3209202/tmp/hooks/D02_print_environment starting I: set - BUILDDIR='/build/reproducible-path' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' - BUILD_ARCH='arm64' - DEBIAN_FRONTEND='noninteractive' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:. + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="2" [2]="21" [3]="1" [4]="release" [5]="aarch64-unknown-linux-gnu") + BASH_VERSION='5.2.21(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=arm64 + DEBIAN_FRONTEND=noninteractive DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 ' - DISTRIBUTION='trixie' - HOME='/root' - HOST_ARCH='arm64' + DIRSTACK=() + DISTRIBUTION=trixie + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=aarch64 + HOST_ARCH=arm64 IFS=' ' - INVOCATION_ID='3a28410d03f444a587f215a7333cfeaf' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - MAIL='/var/mail/root' - OPTIND='1' - PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' - PBCURRENTCOMMANDLINEOPERATION='build' - PBUILDER_OPERATION='build' - PBUILDER_PKGDATADIR='/usr/share/pbuilder' - PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' - PBUILDER_SYSCONFDIR='/etc' - PPID='3413776' - PS1='# ' - PS2='> ' + INVOCATION_ID=ce3e7cddbc7143ebb57c5350fb2c05d1 + LANG=C + LANGUAGE=nl_BE:nl + LC_ALL=C + MACHTYPE=aarch64-unknown-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=3209202 PS4='+ ' - PWD='/' - SHELL='/bin/bash' - SHLVL='2' - SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.2WPjTr1q/pbuilderrc_wLkX --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.2WPjTr1q/b1 --logfile b1/build.log mopac_22.1.1-2.dsc' - SUDO_GID='109' - SUDO_UID='104' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://192.168.101.4:3128' + 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.2WPjTr1q/pbuilderrc_nOEw --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.2WPjTr1q/b2 --logfile b2/build.log mopac_22.1.1-2.dsc' + SUDO_GID=109 + SUDO_UID=104 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://192.168.101.4:3128 I: uname -a - Linux codethink04-arm64 6.1.0-21-cloud-arm64 #1 SMP Debian 6.1.90-1 (2024-05-03) aarch64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-21-cloud-arm64 #1 SMP Debian 6.1.90-1 (2024-05-03) aarch64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 May 14 11:23 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/3413776/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Jun 15 17:48 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/3209202/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -201,7 +233,7 @@ Get: 76 http://deb.debian.org/debian trixie/main arm64 liblapack-dev arm64 3.12.0-3 [3584 kB] Get: 77 http://deb.debian.org/debian trixie/main arm64 python3-pkg-resources all 68.1.2-2 [241 kB] Get: 78 http://deb.debian.org/debian trixie/main arm64 python3-numpy arm64 1:1.26.4+ds-8 [4219 kB] -Fetched 59.1 MB in 0s (207 MB/s) +Fetched 59.1 MB in 0s (188 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libpython3.11-minimal:arm64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19744 files and directories currently installed.) @@ -471,8 +503,8 @@ Setting up tzdata (2024a-4) ... Current default time zone: 'Etc/UTC' -Local time is now: Tue May 14 19:12:01 UTC 2024. -Universal Time is now: Tue May 14 19:12:01 UTC 2024. +Local time is now: Tue Jun 17 01:36:49 UTC 2025. +Universal Time is now: Tue Jun 17 01:36:49 UTC 2025. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up autotools-dev (20220109.1) ... @@ -551,7 +583,11 @@ fakeroot is already the newest version (1.33-1). 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. I: Building the package -I: Running cd /build/reproducible-path/mopac-22.1.1/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../mopac_22.1.1-2_source.changes +I: user script /srv/workspace/pbuilder/3209202/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for trixie +I: user script /srv/workspace/pbuilder/3209202/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/mopac-22.1.1/ && 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 > ../mopac_22.1.1-2_source.changes dpkg-buildpackage: info: source package mopac dpkg-buildpackage: info: source version 22.1.1-2 dpkg-buildpackage: info: source distribution unstable @@ -601,7 +637,7 @@ -- Found OpenMP_Fortran: -fopenmp (found version "4.5") -- Found OpenMP: TRUE (found version "4.5") -- Found Python3: /usr/bin/python3 (found version "3.11.9") found components: Interpreter --- Configuring done (4.5s) +-- Configuring done (4.2s) -- Generating done (0.1s) CMake Warning: Manually-specified variables were not used by the project: @@ -633,217 +669,217 @@ Dependee "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/CMakeFiles/mopac-core.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/CMakeFiles/mopac-core.dir/depend.internal". Dependee "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/CMakeFiles/mopac-core.dir/depend.internal". make[3]: Entering directory '/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu' +[ 0%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_sizes.F90.o +[ 0%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_atomtx.F90.o +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -c /build/reproducible-path/mopac-22.1.1/src/makpol/common_atomtx.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_atomtx.F90.o +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -c 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CMakeFiles/mopac-core.dir/src/models/parameters_for_PM3_Sparkles_C.F90.o [ 9%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_RM1_C.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/models/parameters_for_RM1_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_RM1_C.F90.o [ 9%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_RM1_Sparkles_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/models/parameters_for_RM1_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_RM1_C.F90.o 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+/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/deri0.F90 -o CMakeFiles/mopac-core.dir/src/forces/deri0.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/deri21.F90 -o CMakeFiles/mopac-core.dir/src/forces/deri21.F90.o +[ 19%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/dang.F90.o [ 20%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/volume.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/geometry/dang.F90 -o CMakeFiles/mopac-core.dir/src/geometry/dang.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/geometry/volume.F90 -o CMakeFiles/mopac-core.dir/src/geometry/volume.F90.o -[ 20%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/digit.F90.o -[ 20%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/dang.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/input/digit.F90 -o CMakeFiles/mopac-core.dir/src/input/digit.F90.o [ 20%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/cross.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/geometry/cross.F90 -o CMakeFiles/mopac-core.dir/src/geometry/cross.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/geometry/dang.F90 -o CMakeFiles/mopac-core.dir/src/geometry/dang.F90.o +[ 20%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/digit.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/input/digit.F90 -o CMakeFiles/mopac-core.dir/src/input/digit.F90.o [ 20%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/nuchar.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/input/nuchar.F90 -o CMakeFiles/mopac-core.dir/src/input/nuchar.F90.o [ 20%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/myword.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/input/myword.F90 -o CMakeFiles/mopac-core.dir/src/input/myword.F90.o [ 20%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/getval.F90.o [ 20%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/kab.F90.o -[ 20%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/jab.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/input/myword.F90 -o CMakeFiles/mopac-core.dir/src/input/myword.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/input/getval.F90 -o CMakeFiles/mopac-core.dir/src/input/getval.F90.o -[ 20%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/helect.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/integrals/kab.F90 -o CMakeFiles/mopac-core.dir/src/integrals/kab.F90.o +[ 20%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/jab.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/integrals/jab.F90 -o CMakeFiles/mopac-core.dir/src/integrals/jab.F90.o +[ 20%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/helect.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/integrals/helect.F90 -o CMakeFiles/mopac-core.dir/src/integrals/helect.F90.o -[ 21%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/schmib.F90.o -[ 21%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/linpack.F90.o -[ 21%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/coe.F90.o +[ 20%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/coe.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/integrals/coe.F90 -o CMakeFiles/mopac-core.dir/src/integrals/coe.F90.o +[ 21%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/schmib.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/schmib.F90 -o CMakeFiles/mopac-core.dir/src/matrix/schmib.F90.o +[ 21%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/linpack.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/linpack.F90 -o CMakeFiles/mopac-core.dir/src/matrix/linpack.F90.o [ 21%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/densit.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/densit.F90 -o CMakeFiles/mopac-core.dir/src/matrix/densit.F90.o [ 21%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/density_for_GPU.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/densit.F90 -o CMakeFiles/mopac-core.dir/src/matrix/densit.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/density_for_GPU.F90 -o CMakeFiles/mopac-core.dir/src/matrix/density_for_GPU.F90.o -[ 21%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mxmt.F90.o [ 22%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mtxmc.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/mxmt.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mxmt.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/mtxmc.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mtxmc.F90.o +[ 22%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mxmt.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/mxmt.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mxmt.F90.o [ 22%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mat33.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/mat33.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mat33.F90.o [ 23%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mxv.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/mxv.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mxv.F90.o +[ 23%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mult_symm_AB.F90.o [ 23%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/diag_for_GPU.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/diag_for_GPU.F90 -o CMakeFiles/mopac-core.dir/src/matrix/diag_for_GPU.F90.o -[ 23%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mult_symm_AB.F90.o -[ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mtxm.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/mult_symm_AB.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mult_symm_AB.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/mtxm.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mtxm.F90.o +[ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mtxm.F90.o [ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/supdot.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/mtxm.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mtxm.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/supdot.F90 -o CMakeFiles/mopac-core.dir/src/matrix/supdot.F90.o [ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/schmit.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/schmit.F90 -o CMakeFiles/mopac-core.dir/src/matrix/schmit.F90.o @@ -852,44 +888,44 @@ [ 25%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/rsp.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/rsp.F90 -o CMakeFiles/mopac-core.dir/src/matrix/rsp.F90.o [ 25%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mult.F90.o -[ 26%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/dot.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/mult.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mult.F90.o +[ 26%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/dot.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/dot.F90 -o CMakeFiles/mopac-core.dir/src/matrix/dot.F90.o [ 26%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/minv.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/minv.F90 -o CMakeFiles/mopac-core.dir/src/matrix/minv.F90.o -[ 26%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mamult.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/mamult.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mamult.F90.o -[ 26%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/ddiag.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/ddiag.F90 -o CMakeFiles/mopac-core.dir/src/matrix/ddiag.F90.o [ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/osinv.F90.o +[ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mamult.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/mamult.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mamult.F90.o +[ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/ddiag.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" 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CMakeFiles/mopac-core.dir/src/meci/aabacd.F90.o [ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/babbcd.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/meci/babbcd.F90 -o CMakeFiles/mopac-core.dir/src/meci/babbcd.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/meci/aabacd.F90 -o CMakeFiles/mopac-core.dir/src/meci/aabacd.F90.o [ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/diagi.F90.o -[ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/optimization/exchng.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" 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CMakeFiles/mopac-core.dir/src/models/parameters_for_PM8_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/models/parameters_for_PM8_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM8_C.F90.o /usr/bin/cmake -E cmake_copy_f90_mod parameters_for_mndod_c.mod CMakeFiles/mopac-core.dir/parameters_for_mndod_c.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/molkst_C.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod molmec_c.mod CMakeFiles/mopac-core.dir/molmec_c.mod.stamp GNU @@ -933,8 +969,8 @@ /usr/bin/cmake -E cmake_copy_f90_mod derivs_c.mod CMakeFiles/mopac-core.dir/derivs_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod drc_c.mod CMakeFiles/mopac-core.dir/drc_c.mod.stamp GNU [ 29%] Building Fortran object 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-fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/INDO/ovlp.F90 -o CMakeFiles/mopac-core.dir/src/INDO/ovlp.F90.o [ 31%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/scf.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/INDO/scf.F90 -o CMakeFiles/mopac-core.dir/src/INDO/scf.F90.o -[ 31%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/ovlp.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/INDO/ovlp.F90 -o CMakeFiles/mopac-core.dir/src/INDO/ovlp.F90.o [ 31%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/ci.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/INDO/ci.F90 -o CMakeFiles/mopac-core.dir/src/INDO/ci.F90.o -[ 31%] Linking Fortran executable mopac-makpol -/usr/bin/cmake -E cmake_link_script CMakeFiles/mopac-makpol.dir/link.txt --verbose=1 -/usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard "CMakeFiles/mopac-makpol.dir/src/makpol/cell.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_atomtx.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_ctvec.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_elemts.F90.o" 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"CMakeFiles/mopac-makpol.dir/src/makpol/standard.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/symtry.F90.o" -o mopac-makpol -Wl,-rpath,:::::::::::::: make[3]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu' [ 31%] Built target mopac-makpol [ 31%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/subs.F90.o @@ -1008,16 +1044,16 @@ [ 36%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/dipole_for_MOZYME.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/dipole_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/dipole_for_MOZYME.F90.o [ 36%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/local_for_MOZYME.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/local_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/local_for_MOZYME.F90.o [ 36%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/helecz.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/local_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/local_for_MOZYME.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/helecz.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/helecz.F90.o [ 36%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/scfcri.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/scfcri.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/scfcri.F90.o [ 36%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/denrot_for_MOZYME.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/denrot_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/denrot_for_MOZYME.F90.o [ 36%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/hybrid.F90.o -[ 36%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/tidy.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/hybrid.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/hybrid.F90.o +[ 36%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/tidy.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/tidy.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/tidy.F90.o [ 37%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/makvec.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/makvec.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/makvec.F90.o @@ -1074,8 +1110,8 @@ [ 42%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/finish.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/finish.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/finish.F90.o [ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/depfn.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/depfn.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/depfn.F90.o [ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/savgeo.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/depfn.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/depfn.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/savgeo.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/savgeo.F90.o [ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/pargeo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/pargeo.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/pargeo.F90.o @@ -1087,9 +1123,9 @@ /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/filusp.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/filusp.F90.o [ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/chkpar.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/chkpar.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/chkpar.F90.o +[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/resolv.F90.o [ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/cnvg.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/SCF/cnvg.F90 -o CMakeFiles/mopac-core.dir/src/SCF/cnvg.F90.o -[ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/resolv.F90.o [ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/fock2.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/SCF/resolv.F90 -o CMakeFiles/mopac-core.dir/src/SCF/resolv.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/SCF/fock2.F90 -o CMakeFiles/mopac-core.dir/src/SCF/fock2.F90.o @@ -1127,18 +1163,18 @@ /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/chklew.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/chklew.F90.o [ 49%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/nxtmer.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/nxtmer.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/nxtmer.F90.o +[ 49%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/geochk_bits_1.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/geochk_bits_1.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/geochk_bits_1.F90.o [ 50%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/chkion.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/chkion.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/chkion.F90.o -[ 50%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/geochk_bits_1.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/geochk_bits_1.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/geochk_bits_1.F90.o [ 50%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/geochk.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/geochk.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/geochk.F90.o [ 50%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/ligand.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/ligand.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/ligand.F90.o +[ 50%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/dftd3_bits.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/corrections/dftd3_bits.F90 -o CMakeFiles/mopac-core.dir/src/corrections/dftd3_bits.F90.o [ 51%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/PDB3.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/PDB3.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/PDB3.F90.o -[ 51%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/dftd3_bits.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/corrections/dftd3_bits.F90 -o CMakeFiles/mopac-core.dir/src/corrections/dftd3_bits.F90.o [ 51%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/dftd3.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/corrections/dftd3.F90 -o CMakeFiles/mopac-core.dir/src/corrections/dftd3.F90.o [ 51%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_EH_plus.F90.o @@ -1149,19 +1185,19 @@ /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/corrections/H_bond_correction_EC_plus_ER.F90 -o CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_EC_plus_ER.F90.o [ 52%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/set_up_dentate.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/corrections/set_up_dentate.F90 -o CMakeFiles/mopac-core.dir/src/corrections/set_up_dentate.F90.o +[ 52%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/gdisp.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/corrections/gdisp.F90 -o CMakeFiles/mopac-core.dir/src/corrections/gdisp.F90.o [ 53%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/disp_DnX.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/corrections/disp_DnX.F90 -o CMakeFiles/mopac-core.dir/src/corrections/disp_DnX.F90.o -[ 53%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/gdisp.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/corrections/gdisp.F90 -o CMakeFiles/mopac-core.dir/src/corrections/gdisp.F90.o [ 53%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/post_scf_corrections.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/corrections/post_scf_corrections.F90 -o CMakeFiles/mopac-core.dir/src/corrections/post_scf_corrections.F90.o [ 54%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_PM6_DH_Dispersion.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/corrections/H_bond_correction_PM6_DH_Dispersion.F90 -o CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_PM6_DH_Dispersion.F90.o [ 54%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_PM6_DH_type.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/corrections/H_bond_correction_PM6_DH_type.F90 -o CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_PM6_DH_type.F90.o [ 54%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/Hydrogen_bond_corrections.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/corrections/Hydrogen_bond_corrections.F90 -o CMakeFiles/mopac-core.dir/src/corrections/Hydrogen_bond_corrections.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/corrections/H_bond_correction_PM6_DH_type.F90 -o CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_PM6_DH_type.F90.o [ 54%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deriv.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/corrections/Hydrogen_bond_corrections.F90 -o CMakeFiles/mopac-core.dir/src/corrections/Hydrogen_bond_corrections.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/deriv.F90 -o CMakeFiles/mopac-core.dir/src/forces/deriv.F90.o [ 55%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri1.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/deri1.F90 -o CMakeFiles/mopac-core.dir/src/forces/deri1.F90.o @@ -1174,14 +1210,14 @@ [ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri23.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/deri23.F90 -o CMakeFiles/mopac-core.dir/src/forces/deri23.F90.o [ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/delsta.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/delsta.F90 -o CMakeFiles/mopac-core.dir/src/forces/delsta.F90.o [ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/dfield.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/delsta.F90 -o CMakeFiles/mopac-core.dir/src/forces/delsta.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/dfield.F90 -o CMakeFiles/mopac-core.dir/src/forces/dfield.F90.o [ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/dfock2.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/dfock2.F90 -o CMakeFiles/mopac-core.dir/src/forces/dfock2.F90.o +[ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri22.F90.o [ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/forsav.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/forsav.F90 -o CMakeFiles/mopac-core.dir/src/forces/forsav.F90.o -[ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri22.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/deri22.F90 -o CMakeFiles/mopac-core.dir/src/forces/deri22.F90.o [ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/anavib.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/anavib.F90 -o CMakeFiles/mopac-core.dir/src/forces/anavib.F90.o @@ -1194,12 +1230,12 @@ [ 57%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri2.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/deri2.F90 -o CMakeFiles/mopac-core.dir/src/forces/deri2.F90.o [ 57%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/force.F90.o -[ 57%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/dijkl1.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/force.F90 -o CMakeFiles/mopac-core.dir/src/forces/force.F90.o +[ 57%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/dijkl1.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/dijkl1.F90 -o CMakeFiles/mopac-core.dir/src/forces/dijkl1.F90.o [ 57%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/dijkl2.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/dijkl2.F90 -o CMakeFiles/mopac-core.dir/src/forces/dijkl2.F90.o [ 58%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/dernvo.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/dijkl2.F90 -o CMakeFiles/mopac-core.dir/src/forces/dijkl2.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/dernvo.F90 -o CMakeFiles/mopac-core.dir/src/forces/dernvo.F90.o [ 58%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/fmat.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/fmat.F90 -o CMakeFiles/mopac-core.dir/src/forces/fmat.F90.o @@ -1222,8 +1258,8 @@ [ 60%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/getsym.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/input/getsym.F90 -o CMakeFiles/mopac-core.dir/src/input/getsym.F90.o [ 61%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/readmo.F90.o -[ 61%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/gettxt.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/input/readmo.F90 -o CMakeFiles/mopac-core.dir/src/input/readmo.F90.o +[ 61%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/gettxt.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/input/gettxt.F90 -o CMakeFiles/mopac-core.dir/src/input/gettxt.F90.o [ 61%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/wrt_diffs.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/input/wrt_diffs.F90 -o CMakeFiles/mopac-core.dir/src/input/wrt_diffs.F90.o @@ -1260,8 +1296,8 @@ [ 67%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/mndod.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/integrals/mndod.F90 -o CMakeFiles/mopac-core.dir/src/integrals/mndod.F90.o [ 68%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/sp_two_electron.F90.o -[ 68%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/solrot.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/integrals/sp_two_electron.F90 -o CMakeFiles/mopac-core.dir/src/integrals/sp_two_electron.F90.o +[ 68%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/solrot.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/integrals/solrot.F90 -o CMakeFiles/mopac-core.dir/src/integrals/solrot.F90.o [ 68%] Building Fortran object CMakeFiles/mopac-core.dir/src/interface/mopac_gui.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/interface/mopac_gui.F90 -o CMakeFiles/mopac-core.dir/src/interface/mopac_gui.F90.o @@ -1273,10 +1309,10 @@ /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/eigenvectors_LAPACK.F90 -o CMakeFiles/mopac-core.dir/src/matrix/eigenvectors_LAPACK.F90.o [ 68%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/molval.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/molval.F90 -o CMakeFiles/mopac-core.dir/src/matrix/molval.F90.o -[ 68%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/diag.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/diag.F90 -o CMakeFiles/mopac-core.dir/src/matrix/diag.F90.o [ 68%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/mecid.F90.o +[ 68%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/diag.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/meci/mecid.F90 -o CMakeFiles/mopac-core.dir/src/meci/mecid.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/diag.F90 -o CMakeFiles/mopac-core.dir/src/matrix/diag.F90.o [ 69%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/babbbc.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/meci/babbbc.F90 -o CMakeFiles/mopac-core.dir/src/meci/babbbc.F90.o [ 69%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/partxy.F90.o @@ -1284,8 +1320,8 @@ [ 69%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/mecip.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/meci/mecip.F90 -o CMakeFiles/mopac-core.dir/src/meci/mecip.F90.o [ 70%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/aababc.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/meci/aababc.F90 -o CMakeFiles/mopac-core.dir/src/meci/aababc.F90.o [ 70%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/aabbcd.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/meci/aababc.F90 -o CMakeFiles/mopac-core.dir/src/meci/aababc.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/meci/aabbcd.F90 -o CMakeFiles/mopac-core.dir/src/meci/aabbcd.F90.o [ 70%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/perm.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/meci/perm.F90 -o CMakeFiles/mopac-core.dir/src/meci/perm.F90.o @@ -1293,20 +1329,20 @@ /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/meci/ijkl.F90 -o CMakeFiles/mopac-core.dir/src/meci/ijkl.F90.o [ 71%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/meci.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/meci/meci.F90 -o CMakeFiles/mopac-core.dir/src/meci/meci.F90.o +[ 71%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/formxy.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/meci/formxy.F90 -o CMakeFiles/mopac-core.dir/src/meci/formxy.F90.o [ 72%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/mecih.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/meci/mecih.F90 -o CMakeFiles/mopac-core.dir/src/meci/mecih.F90.o -[ 72%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/formxy.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/meci/formxy.F90 -o CMakeFiles/mopac-core.dir/src/meci/formxy.F90.o [ 72%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/ciosci.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/meci/ciosci.F90 -o CMakeFiles/mopac-core.dir/src/meci/ciosci.F90.o [ 72%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_mndod.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/models/alpb_and_xfac_mndod.F90 -o CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_mndod.F90.o [ 73%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/refer.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/models/refer.F90 -o CMakeFiles/mopac-core.dir/src/models/refer.F90.o -[ 73%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_mndo.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/models/alpb_and_xfac_mndo.F90 -o CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_mndo.F90.o [ 73%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/calpar.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/models/calpar.F90 -o CMakeFiles/mopac-core.dir/src/models/calpar.F90.o +[ 73%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_mndo.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/models/alpb_and_xfac_mndo.F90 -o CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_mndo.F90.o [ 74%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_pm3.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/models/alpb_and_xfac_pm3.F90 -o CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_pm3.F90.o [ 74%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_am1.F90.o @@ -1385,28 +1421,28 @@ /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/properties/static_polarizability.F90 -o CMakeFiles/mopac-core.dir/src/properties/static_polarizability.F90.o [ 86%] Building Fortran object CMakeFiles/mopac-core.dir/src/properties/chrge.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/properties/chrge.F90 -o CMakeFiles/mopac-core.dir/src/properties/chrge.F90.o -[ 86%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/pathk.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/reactions/pathk.F90 -o CMakeFiles/mopac-core.dir/src/reactions/pathk.F90.o [ 87%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/react1.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/reactions/react1.F90 -o CMakeFiles/mopac-core.dir/src/reactions/react1.F90.o +[ 87%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/pathk.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/reactions/pathk.F90 -o CMakeFiles/mopac-core.dir/src/reactions/pathk.F90.o [ 87%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/paths.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/reactions/paths.F90 -o CMakeFiles/mopac-core.dir/src/reactions/paths.F90.o [ 87%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/write_trajectory.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/reactions/write_trajectory.F90 -o CMakeFiles/mopac-core.dir/src/reactions/write_trajectory.F90.o [ 88%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/grid.F90.o -[ 88%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/set_up_RAPID.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/reactions/grid.F90 -o CMakeFiles/mopac-core.dir/src/reactions/grid.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/reactions/set_up_RAPID.F90 -o CMakeFiles/mopac-core.dir/src/reactions/set_up_RAPID.F90.o +[ 88%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/set_up_RAPID.F90.o [ 88%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/ef.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/reactions/ef.F90 -o CMakeFiles/mopac-core.dir/src/reactions/ef.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/reactions/set_up_RAPID.F90 -o CMakeFiles/mopac-core.dir/src/reactions/set_up_RAPID.F90.o [ 89%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/drc.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/reactions/ef.F90 -o CMakeFiles/mopac-core.dir/src/reactions/ef.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/reactions/drc.F90 -o CMakeFiles/mopac-core.dir/src/reactions/drc.F90.o [ 89%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/drcout.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/reactions/drcout.F90 -o CMakeFiles/mopac-core.dir/src/reactions/drcout.F90.o -[ 89%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/prtdrc.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/reactions/prtdrc.F90 -o CMakeFiles/mopac-core.dir/src/reactions/prtdrc.F90.o [ 90%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/picopt.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/reactions/picopt.F90 -o CMakeFiles/mopac-core.dir/src/reactions/picopt.F90.o +[ 90%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/prtdrc.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/reactions/prtdrc.F90 -o CMakeFiles/mopac-core.dir/src/reactions/prtdrc.F90.o [ 90%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/big_swap.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/reactions/big_swap.F90 -o CMakeFiles/mopac-core.dir/src/reactions/big_swap.F90.o [ 90%] Building Fortran object CMakeFiles/mopac-core.dir/src/solvation/cosmo.F90.o @@ -1420,30 +1456,30 @@ [ 91%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/bldsym.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/bldsym.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/bldsym.F90.o [ 92%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/mult33.F90.o -[ 92%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/molsym.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/mult33.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/mult33.F90.o +[ 92%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/molsym.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/molsym.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/molsym.F90.o [ 92%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symtrz.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/symtrz.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/symtrz.F90.o [ 93%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/sympop.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/sympop.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/sympop.F90.o -[ 93%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symoir.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/symoir.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/symoir.F90.o [ 93%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/dtran2.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/dtran2.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/dtran2.F90.o +[ 93%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symoir.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/symoir.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/symoir.F90.o [ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symr.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/symr.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/symr.F90.o -[ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/maksym.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/maksym.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/maksym.F90.o [ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/charvi.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/charvi.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/charvi.F90.o [ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/charmo.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/charmo.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/charmo.F90.o +[ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/maksym.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/maksym.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/maksym.F90.o [ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/vecprt.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/charmo.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/charmo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/utilities/vecprt.F90 -o CMakeFiles/mopac-core.dir/src/utilities/vecprt.F90.o [ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/wrttxt.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/utilities/wrttxt.F90 -o CMakeFiles/mopac-core.dir/src/utilities/wrttxt.F90.o [ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/timer.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/utilities/wrttxt.F90 -o CMakeFiles/mopac-core.dir/src/utilities/wrttxt.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/utilities/timer.F90 -o CMakeFiles/mopac-core.dir/src/utilities/timer.F90.o [ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/ijbo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/utilities/ijbo.F90 -o CMakeFiles/mopac-core.dir/src/utilities/ijbo.F90.o @@ -1459,16 +1495,16 @@ /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/chanel_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/chemistry/atomradii_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/conref_C.F90.o.provides.build +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/elemts_C.F90.o.provides.build [ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/orient_water.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/orient_water.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/orient_water.F90.o -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/elemts_C.F90.o.provides.build [ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bonds4.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/corrections/H_bonds4.F90 -o CMakeFiles/mopac-core.dir/src/corrections/H_bonds4.F90.o /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/funcon_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/integrals/mndod_C.F90.o.provides.build -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/meci/meci_C.F90.o.provides.build [ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/esp_utilities.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/esp_utilities.F90 -o CMakeFiles/mopac-core.dir/src/matrix/esp_utilities.F90.o +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/meci/meci_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/journal_references_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_AM1_C.F90.o.provides.build @@ -1500,14 +1536,14 @@ /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/solvation/cosmo_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/symmetry/symmetry_C.F90.o.provides.build [ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/charst.F90.o -[ 97%] Building Fortran object CMakeFiles/mopac-core.dir/src/run_mopac.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/charst.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/charst.F90.o -[ 97%] Building Fortran object CMakeFiles/mopac-core.dir/src/setup_mopac_arrays.F90.o +[ 97%] Building Fortran object CMakeFiles/mopac-core.dir/src/run_mopac.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/run_mopac.F90 -o CMakeFiles/mopac-core.dir/src/run_mopac.F90.o -[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/run_param.F90.o -[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/moldat.F90.o +[ 97%] Building Fortran object CMakeFiles/mopac-core.dir/src/setup_mopac_arrays.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/setup_mopac_arrays.F90 -o CMakeFiles/mopac-core.dir/src/setup_mopac_arrays.F90.o +[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/run_param.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/run_param.F90 -o CMakeFiles/mopac-core.dir/src/run_param.F90.o +[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/moldat.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/moldat.F90 -o CMakeFiles/mopac-core.dir/src/moldat.F90.o [ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/switch.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/models/switch.F90 -o CMakeFiles/mopac-core.dir/src/models/switch.F90.o @@ -1521,29 +1557,29 @@ /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM8_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/properties/CPE_Energy.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/solvation/afmm_C.F90.o.provides.build -/usr/bin/cmake -E cmake_copy_f90_mod orient_water_c.mod CMakeFiles/mopac-core.dir/orient_water_c.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/corrections/H_bonds4.F90.o.provides.build -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/matrix/esp_utilities.F90.o.provides.build [ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/solvation/linear_cosmo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/solvation/linear_cosmo.F90 -o CMakeFiles/mopac-core.dir/src/solvation/linear_cosmo.F90.o -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/chemistry/orient_water.F90.o.provides.build +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/matrix/esp_utilities.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod get_det.mod CMakeFiles/mopac-core.dir/get_det.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/symmetry/charst.F90.o.provides.build +/usr/bin/cmake -E cmake_copy_f90_mod orient_water_c.mod CMakeFiles/mopac-core.dir/orient_water_c.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/chemistry/orient_water.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod cosmo_mini.mod CMakeFiles/mopac-core.dir/cosmo_mini.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod linear_cosmo.mod CMakeFiles/mopac-core.dir/linear_cosmo.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/solvation/linear_cosmo.F90.o.provides.build [ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/fock2z.F90.o -[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/prtpka.F90.o [ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/iter_for_MOZYME.F90.o [ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/hcore_for_MOZYME.F90.o -[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/writmo.F90.o +[ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/compfg.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/fock2z.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/fock2z.F90.o +[ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/prtpka.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/compfg.F90 -o CMakeFiles/mopac-core.dir/src/compfg.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/iter_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/iter_for_MOZYME.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/hcore_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/hcore_for_MOZYME.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/output/prtpka.F90 -o CMakeFiles/mopac-core.dir/src/output/prtpka.F90.o +[ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/writmo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/output/writmo.F90 -o CMakeFiles/mopac-core.dir/src/output/writmo.F90.o -[ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/compfg.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/compfg.F90 -o CMakeFiles/mopac-core.dir/src/compfg.F90.o -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/solvation/linear_cosmo.F90.o.provides.build [ 99%] Linking Fortran static library libmopac.a /usr/bin/cmake -P CMakeFiles/mopac-core.dir/cmake_clean_target.cmake /usr/bin/cmake -E cmake_link_script CMakeFiles/mopac-core.dir/link.txt --verbose=1 @@ -1557,10 +1593,10 @@ cd /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-22.1.1 /build/reproducible-path/mopac-22.1.1 /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/CMakeFiles/mopac.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu' cd /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-22.1.1 /build/reproducible-path/mopac-22.1.1 /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/CMakeFiles/mopac-param.dir/DependInfo.cmake "--color=" -Dependee "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/CMakeFiles/mopac.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/CMakeFiles/mopac.dir/depend.internal". Dependee "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/CMakeFiles/mopac-param.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/CMakeFiles/mopac-param.dir/depend.internal". -Dependee "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/CMakeFiles/mopac-param.dir/depend.internal". +Dependee "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/CMakeFiles/mopac.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/CMakeFiles/mopac.dir/depend.internal". Dependee "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/CMakeFiles/mopac.dir/depend.internal". +Dependee "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/CMakeFiles/mopac-param.dir/depend.internal". Scanning dependencies of target mopac Scanning dependencies of target mopac-param make[3]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu' @@ -1571,18 +1607,18 @@ make[3]: Entering directory '/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu' [ 99%] Building Fortran object CMakeFiles/mopac.dir/src/mopac.F90.o [ 99%] Building Fortran object CMakeFiles/mopac-param.dir/src/param.F90.o -/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/mopac.F90 -o CMakeFiles/mopac.dir/src/mopac.F90.o /usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/param.F90 -o CMakeFiles/mopac-param.dir/src/param.F90.o -[ 99%] Linking Fortran executable mopac +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/mopac.F90 -o CMakeFiles/mopac.dir/src/mopac.F90.o +[100%] Linking Fortran executable mopac [100%] Linking Fortran executable mopac-param /usr/bin/cmake -E cmake_link_script CMakeFiles/mopac.dir/link.txt --verbose=1 /usr/bin/cmake -E cmake_link_script CMakeFiles/mopac-param.dir/link.txt --verbose=1 -/usr/bin/f95 -Wl,-z,relro -fopenmp -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard CMakeFiles/mopac.dir/src/mopac.F90.o -o mopac -Wl,-rpath,:::::::::::::: libmopac.a /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/bin/f95 -Wl,-z,relro -fopenmp -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard "CMakeFiles/mopac-param.dir/src/param.F90.o" -o mopac-param -Wl,-rpath,:::::::::::::: libmopac.a /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so +/usr/bin/f95 -Wl,-z,relro -fopenmp -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard CMakeFiles/mopac.dir/src/mopac.F90.o -o mopac -Wl,-rpath,:::::::::::::: libmopac.a /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so make[3]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu' -[100%] Built target mopac [100%] Built target mopac-param +[100%] Built target mopac make[2]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/CMakeFiles 0 make[1]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu' @@ -1672,40 +1708,47 @@ 7: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "convert_an_un-edited_PDB_file.mop" 7: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests 7: Test timeout computed to be: 10000000 -10: Tue May 14 07:12:40 2024 Job: 'PDB1CBN.ent' started successfully -4: Tue May 14 07:12:40 2024 Job: 'Test_XENO' started successfully -2: Tue May 14 07:12:40 2024 Job: 'Crambin_1SCF' started successfully -6: Tue May 14 07:12:40 2024 Job: 'convert_an_edited_PDB_file' started successfully -1: Tue May 14 07:12:40 2024 Job: 'port' started successfully -13: Tue May 14 07:12:40 2024 Job: 'ADD-H_Bacteriorhodopsin_1AT9' started successfully -4: -4: -4: MOPAC Job: "Test_XENO.mop" ended normally on May 14, 2024, at 07:12. -4: -7: Tue May 14 07:12:40 2024 Job: 'convert_an_un-edited_PDB_file' started successfully -12: Tue May 14 07:12:40 2024 Job: 'ADD-H_Bacteriorhodopsin_1AP9' started successfully -6: -6: -6: MOPAC Job: "convert_an_edited_PDB_file.mop" ended normally on May 14, 2024, at 07:12. -6: +23: Tue Jun 17 15:37:35 2025 Job: 'IONIZE' started successfully +11: Tue Jun 17 15:37:35 2025 Job: 'PDB1EJG.ent' started successfully +10: Tue Jun 17 15:37:35 2025 Job: 'PDB1CBN.ent' started successfully +13: Tue Jun 17 15:37:35 2025 Job: 'ADD-H_Bacteriorhodopsin_1AT9' started successfully +12: Tue Jun 17 15:37:35 2025 Job: 'ADD-H_Bacteriorhodopsin_1AP9' started successfully +7: Tue Jun 17 15:37:35 2025 Job: 'convert_an_un-edited_PDB_file' started successfully +11: +11: +11: MOPAC Job: "PDB1EJG.ent" ended normally on Jun 17, 2025, at 15:37. +11: 7: 7: -7: MOPAC Job: "convert_an_un-edited_PDB_file.mop" ended normally on May 14, 2024, at 07:12. +7: MOPAC Job: "convert_an_un-edited_PDB_file.mop" ended normally on Jun 17, 2025, at 15:37. 7: -11: Tue May 14 07:12:40 2024 Job: 'PDB1EJG.ent' started successfully +6: Tue Jun 17 15:37:35 2025 Job: 'convert_an_edited_PDB_file' started successfully +2: Tue Jun 17 15:37:35 2025 Job: 'Crambin_1SCF' started successfully +1: Tue Jun 17 15:37:35 2025 Job: 'port' started successfully 10: 10: -10: MOPAC Job: "PDB1CBN.ent" ended normally on May 14, 2024, at 07:12. +10: MOPAC Job: "PDB1CBN.ent" ended normally on Jun 17, 2025, at 15:37. 10: -23: Tue May 14 07:12:40 2024 Job: 'IONIZE' started successfully -5: Tue May 14 07:12:40 2024 Job: 'Test_Hetero_group' started successfully -11: -11: -11: MOPAC Job: "PDB1EJG.ent" ended normally on May 14, 2024, at 07:12. -11: +6: +6: +6: MOPAC Job: "convert_an_edited_PDB_file.mop" ended normally on Jun 17, 2025, at 15:37. +6: +4: Tue Jun 17 15:37:35 2025 Job: 'Test_XENO' started successfully +5: Tue Jun 17 15:37:35 2025 Job: 'Test_Hetero_group' started successfully +4: +4: +4: MOPAC Job: "Test_XENO.mop" ended normally on Jun 17, 2025, at 15:37. +4: + 1/123 Test #7: convert_unedited_pdb ............. Passed 0.33 sec +test 8 + Start 8: ters_preserved + +8: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "Check_that_TERs_are_preserved.mop" "Check_TERs.pdb" +8: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests +8: Test timeout computed to be: 10000000 5: 5: -5: MOPAC Job: "Test_Hetero_group.mop" ended normally on May 14, 2024, at 07:12. +5: MOPAC Job: "Test_Hetero_group.mop" ended normally on Jun 17, 2025, at 15:37. 5: 6: WARNING: numerical mismatch between -7.12533968 on reference line 525 in /build/reproducible-path/mopac-22.1.1/tests and -6.98803573 on output line 525 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 6: WARNING: numerical mismatch between 28.25378616 on reference line 525 in /build/reproducible-path/mopac-22.1.1/tests and 27.27225907 on output line 525 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac @@ -1719,138 +1762,175 @@ 6: WARNING: numerical mismatch between -8.412 on reference line 744 in /build/reproducible-path/mopac-22.1.1/tests and -7.919 on output line 744 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 6: WARNING: numerical mismatch between 27.872 on reference line 744 in /build/reproducible-path/mopac-22.1.1/tests and 28.465 on output line 744 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 6: WARNING: numerical mismatch between 29.045 on reference line 744 in /build/reproducible-path/mopac-22.1.1/tests and 28.457 on output line 744 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac - 1/123 Test #7: convert_unedited_pdb ............. Passed 0.28 sec -test 8 - Start 8: ters_preserved - -8: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "Check_that_TERs_are_preserved.mop" "Check_TERs.pdb" -8: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests -8: Test timeout computed to be: 10000000 - 2/123 Test #4: xeno ............................. Passed 0.30 sec + 2/123 Test #6: convert_edited_pdb ............... Passed 0.43 sec test 9 Start 9: compare_proteins 9: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "Compare_two_protein_structures.mop" "Structure-1.txt" "Structure-2.txt" 9: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests 9: Test timeout computed to be: 10000000 - 3/123 Test #6: convert_edited_pdb ............... Passed 0.32 sec +23: +23: +23: MOPAC Job: "IONIZE.mop" ended normally on Jun 17, 2025, at 15:37. +23: +8: Tue Jun 17 15:37:35 2025 Job: 'Check_that_TERs_are_preserved' started successfully +8: +8: +8: MOPAC Job: "Check_that_TERs_are_preserved.mop" ended normally on Jun 17, 2025, at 15:37. +8: + 3/123 Test #4: xeno ............................. Passed 0.56 sec test 14 Start 14: add-h3 14: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "Au_Add-H.mop" 14: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests 14: Test timeout computed to be: 10000000 - 4/123 Test #5: hetero_group ..................... Passed 0.40 sec +12: +12: +12: MOPAC Job: "ADD-H_Bacteriorhodopsin_1AP9.mop" ended normally on Jun 17, 2025, at 15:37. +12: + 4/123 Test #23: ionize ........................... Passed 0.62 sec test 22 Start 22: locate_ts 22: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "Locate_TS.mop" "Cyclobutadiene_1.arc" "Cyclobutadiene_2.arc" 22: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests 22: Test timeout computed to be: 10000000 - 5/123 Test #10: pdb1cbn .......................... Passed 0.44 sec +13: +13: +13: MOPAC Job: "ADD-H_Bacteriorhodopsin_1AT9.mop" ended normally on Jun 17, 2025, at 15:37. +13: + 5/123 Test #5: hetero_group ..................... Passed 0.61 sec +test 24 + Start 24: salt + +24: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "SALT.mop" +24: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests +24: Test timeout computed to be: 10000000 +9: Tue Jun 17 15:37:35 2025 Job: 'Compare_two_protein_structures' started successfully + 6/123 Test #8: ters_preserved ................... Passed 0.28 sec test 25 Start 25: salt2 25: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "SALT_2.mop" 25: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests 25: Test timeout computed to be: 10000000 -8: Tue May 14 07:12:40 2024 Job: 'Check_that_TERs_are_preserved' started successfully -23: -23: -23: MOPAC Job: "IONIZE.mop" ended normally on May 14, 2024, at 07:12. -23: -8: -8: -8: MOPAC Job: "Check_that_TERs_are_preserved.mop" ended normally on May 14, 2024, at 07:12. -8: -9: Tue May 14 07:12:40 2024 Job: 'Compare_two_protein_structures' started successfully 9: 9: -9: MOPAC Job: "Compare_two_protein_structures.mop" ended normally on May 14, 2024, at 07:12. +9: MOPAC Job: "Compare_two_protein_structures.mop" ended normally on Jun 17, 2025, at 15:37. 9: -13: -13: -13: MOPAC Job: "ADD-H_Bacteriorhodopsin_1AT9.mop" ended normally on May 14, 2024, at 07:12. -13: -14: Tue May 14 07:12:40 2024 Job: 'Au_Add-H' started successfully - 6/123 Test #11: pdb1ejg .......................... Passed 0.53 sec + 7/123 Test #11: pdb1ejg .......................... Passed 0.72 sec +test 26 + Start 26: residues + +26: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "SITE_Individual_residues.mop" +26: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests +26: Test timeout computed to be: 10000000 + 8/123 Test #10: pdb1cbn .......................... Passed 0.79 sec test 15 Start 15: compare_add-h 15: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "Compare_ADD-H_1EJG_and_1CBN.mop" 15: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests 15: Test timeout computed to be: 10000000 - 7/123 Test #9: compare_proteins ................. Passed 0.21 sec + 9/123 Test #9: compare_proteins ................. Passed 0.30 sec test 16 Start 16: pdb_compare 16: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "Compare_PDB_1EJG_and_1CBN.mop" 16: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests 16: Test timeout computed to be: 10000000 -12: -12: -12: MOPAC Job: "ADD-H_Bacteriorhodopsin_1AP9.mop" ended normally on May 14, 2024, at 07:12. -12: - 8/123 Test #23: ionize ........................... Passed 0.54 sec -test 24 - Start 24: salt - -24: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "SALT.mop" -24: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests -24: Test timeout computed to be: 10000000 - 9/123 Test #8: ters_preserved ................... Passed 0.28 sec -test 26 - Start 26: residues - -26: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "SITE_Individual_residues.mop" -26: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests -26: Test timeout computed to be: 10000000 -14: -14: -14: MOPAC Job: "Au_Add-H.mop" ended normally on May 14, 2024, at 07:12. -14: +3: Tue Jun 17 15:37:35 2025 Job: 'test_Lewis_for_Proteins' started successfully +14: Tue Jun 17 15:37:36 2025 Job: 'Au_Add-H' started successfully 25: 25: -25: MOPAC Job: "SALT_2.mop" ended normally on May 14, 2024, at 07:12. +25: MOPAC Job: "SALT_2.mop" ended normally on Jun 17, 2025, at 15:37. 25: -3: Tue May 14 07:12:40 2024 Job: 'test_Lewis_for_Proteins' started successfully - 10/123 Test #25: salt2 ............................ Passed 0.23 sec +24: Tue Jun 17 15:37:36 2025 Job: 'SALT' started successfully + 10/123 Test #25: salt2 ............................ Passed 0.27 sec test 27 Start 27: erratic-1 27: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "1.0" "erratic1.mop" 27: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests 27: Test timeout computed to be: 10000000 -15: Tue May 14 07:12:40 2024 Job: 'Compare_ADD-H_1EJG_and_1CBN' started successfully -16: Tue May 14 07:12:40 2024 Job: 'Compare_PDB_1EJG_and_1CBN' started successfully -24: Tue May 14 07:12:40 2024 Job: 'SALT' started successfully +14: +14: +14: MOPAC Job: "Au_Add-H.mop" ended normally on Jun 17, 2025, at 15:37. +14: 22: 22: -22: MOPAC Job: "Locate_TS.mop" ended normally on May 14, 2024, at 07:12. +22: MOPAC Job: "Locate_TS.mop" ended normally on Jun 17, 2025, at 15:37. 22: -15: -15: -15: MOPAC Job: "Compare_ADD-H_1EJG_and_1CBN.mop" ended normally on May 14, 2024, at 07:12. -15: -26: Tue May 14 07:12:40 2024 Job: 'SITE_Individual_residues' started successfully - 11/123 Test #22: locate_ts ........................ Passed 0.42 sec +26: Tue Jun 17 15:37:36 2025 Job: 'SITE_Individual_residues' started successfully +24: +24: +24: MOPAC Job: "SALT.mop" ended normally on Jun 17, 2025, at 15:37. +24: +15: Tue Jun 17 15:37:36 2025 Job: 'Compare_ADD-H_1EJG_and_1CBN' started successfully + 11/123 Test #22: locate_ts ........................ Passed 0.49 sec test 28 Start 28: erratic-2 28: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "1.0" "erratic2.mop" 28: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests 28: Test timeout computed to be: 10000000 - 12/123 Test #15: compare_add-h .................... Passed 0.33 sec + 12/123 Test #24: salt ............................. Passed 0.52 sec test 29 Start 29: erratic-3 29: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "1.0" "erratic3.mop" 29: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests 29: Test timeout computed to be: 10000000 +16: Tue Jun 17 15:37:36 2025 Job: 'Compare_PDB_1EJG_and_1CBN' started successfully +15: +15: +15: MOPAC Job: "Compare_ADD-H_1EJG_and_1CBN.mop" ended normally on Jun 17, 2025, at 15:37. +15: + 13/123 Test #12: add-h ............................ Passed 1.29 sec +test 30 + Start 30: ag20 + +30: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "ag20.mop" +30: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev +30: Test timeout computed to be: 10000000 16: 16: -16: MOPAC Job: "Compare_PDB_1EJG_and_1CBN.mop" ended normally on May 14, 2024, at 07:12. +16: MOPAC Job: "Compare_PDB_1EJG_and_1CBN.mop" ended normally on Jun 17, 2025, at 15:37. 16: + 14/123 Test #13: add-h2 ........................... Passed 1.34 sec +test 17 + Start 17: pdb_compare2 + +17: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9.mop" "Bacteriorhodopsin_2AT9.ent" +17: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests +17: Test timeout computed to be: 10000000 + 15/123 Test #15: compare_add-h .................... Passed 0.58 sec +test 18 + Start 18: pdb_compare3 + +18: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W.mop" "Bacteriorhodopsin_1C3W.ent" +18: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests +18: Test timeout computed to be: 10000000 +29: +29: +29: MOPAC Job: "erratic3.mop" ended normally on Jun 17, 2025, at 15:37. +29: +28: Tue Jun 17 15:37:36 2025 Job: 'erratic2' started successfully + 16/123 Test #16: pdb_compare ...................... Passed 0.60 sec +test 19 + Start 19: pdb_compare4 + +19: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX.mop" "Bacteriorhodopsin_1BRX.ent" +19: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests +19: Test timeout computed to be: 10000000 + 17/123 Test #29: erratic-3 ........................ Passed 0.25 sec +test 20 + Start 20: pdb_compare5 + +20: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR.mop" "Bacteriorhodopsin_1BRR.ent" +20: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests +20: Test timeout computed to be: 10000000 14: WARNING: numerical mismatch between -25.64788041 on reference line 2039 in /build/reproducible-path/mopac-22.1.1/tests and -25.90290178 on output line 2039 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 14: WARNING: numerical mismatch between 4.10092057 on reference line 2039 in /build/reproducible-path/mopac-22.1.1/tests and 4.98654585 on output line 2039 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 14: WARNING: numerical mismatch between -1.91380926 on reference line 2039 in /build/reproducible-path/mopac-22.1.1/tests and -3.20727348 on output line 2039 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac @@ -2140,268 +2220,228 @@ 14: WARNING: numerical mismatch between -19.41629408 on reference line 2893 in /build/reproducible-path/mopac-22.1.1/tests and -19.43623781 on output line 2893 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 14: WARNING: numerical mismatch between -8.6549534 on reference line 2893 in /build/reproducible-path/mopac-22.1.1/tests and -8.663755 on output line 2893 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 14: WARNING: numerical mismatch between -20.4878079 on reference line 2893 in /build/reproducible-path/mopac-22.1.1/tests and -20.48767778 on output line 2893 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac - 13/123 Test #16: pdb_compare ...................... Passed 0.40 sec -test 30 - Start 30: ag20 + 18/123 Test #14: add-h3 ........................... Passed 0.90 sec +test 21 + Start 21: pdb_compare6 -30: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "ag20.mop" -30: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev -30: Test timeout computed to be: 10000000 - 14/123 Test #13: add-h2 ........................... Passed 0.94 sec +21: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9.mop" +21: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests +21: Test timeout computed to be: 10000000 +26: +26: +26: MOPAC Job: "SITE_Individual_residues.mop" ended normally on Jun 17, 2025, at 15:37. +26: + 19/123 Test #26: residues ......................... Passed 0.90 sec test 31 Start 31: ag20_cis_active 31: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "ag20_cis_active.mop" 31: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev 31: Test timeout computed to be: 10000000 -24: -24: -24: MOPAC Job: "SALT.mop" ended normally on May 14, 2024, at 07:12. -24: - 15/123 Test #14: add-h3 ........................... Passed 0.61 sec +17: Tue Jun 17 15:37:36 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9' started successfully +19: Tue Jun 17 15:37:36 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX' started successfully +18: Tue Jun 17 15:37:36 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W' started successfully +20: Tue Jun 17 15:37:36 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR' started successfully +21: Tue Jun 17 15:37:36 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9' started successfully +30: +30: +30: MOPAC Job: "ag20.mop" ended normally on Jun 17, 2025, at 15:37. +30: +17: +17: +17: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9.mop" ended normally on Jun 17, 2025, at 15:37. +17: +20: +20: +20: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR.mop" ended normally on Jun 17, 2025, at 15:37. +20: + 20/123 Test #17: pdb_compare2 ..................... Passed 0.83 sec test 32 Start 32: benzene 32: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "benzene.mop" 32: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev 32: Test timeout computed to be: 10000000 -28: Tue May 14 07:12:41 2024 Job: 'erratic2' started successfully - 16/123 Test #12: add-h ............................ Passed 1.00 sec -test 17 - Start 17: pdb_compare2 - -17: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9.mop" "Bacteriorhodopsin_2AT9.ent" -17: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests -17: Test timeout computed to be: 10000000 - 17/123 Test #24: salt ............................. Passed 0.46 sec -test 18 - Start 18: pdb_compare3 - -18: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W.mop" "Bacteriorhodopsin_1C3W.ent" -18: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests -18: Test timeout computed to be: 10000000 -29: -29: -29: MOPAC Job: "erratic3.mop" ended normally on May 14, 2024, at 07:12. -29: - 18/123 Test #29: erratic-3 ........................ Passed 0.21 sec -test 19 - Start 19: pdb_compare4 - -19: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX.mop" "Bacteriorhodopsin_1BRX.ent" -19: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests -19: Test timeout computed to be: 10000000 -17: Tue May 14 07:12:41 2024 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9' started successfully -18: Tue May 14 07:12:41 2024 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W' started successfully -26: -26: -26: MOPAC Job: "SITE_Individual_residues.mop" ended normally on May 14, 2024, at 07:12. -26: -32: -32: -32: MOPAC Job: "benzene.mop" ended normally on May 14, 2024, at 07:12. -32: -19: Tue May 14 07:12:41 2024 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX' started successfully - 19/123 Test #26: residues ......................... Passed 0.66 sec -test 20 - Start 20: pdb_compare5 - -20: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR.mop" "Bacteriorhodopsin_1BRR.ent" -20: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests -20: Test timeout computed to be: 10000000 - 20/123 Test #32: benzene .......................... Passed 0.35 sec -test 21 - Start 21: pdb_compare6 - -21: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9.mop" -21: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests -21: Test timeout computed to be: 10000000 -30: -30: -30: MOPAC Job: "ag20.mop" ended normally on May 14, 2024, at 07:12. -30: - 21/123 Test #30: ag20 ............................. Passed 0.46 sec + 21/123 Test #30: ag20 ............................. Passed 0.91 sec test 33 Start 33: co_cas 33: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "co_cas.mop" 33: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev 33: Test timeout computed to be: 10000000 -20: Tue May 14 07:12:41 2024 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR' started successfully -21: Tue May 14 07:12:41 2024 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9' started successfully -33: -33: -33: MOPAC Job: "co_cas.mop" ended normally on May 14, 2024, at 07:12. -33: -19: -19: -19: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX.mop" ended normally on May 14, 2024, at 07:12. -19: 18: 18: -18: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W.mop" ended normally on May 14, 2024, at 07:12. +18: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W.mop" ended normally on Jun 17, 2025, at 15:37. 18: -17: -17: -17: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9.mop" ended normally on May 14, 2024, at 07:12. -17: - 22/123 Test #33: co_cas ........................... Passed 0.19 sec + 22/123 Test #20: pdb_compare5 ..................... Passed 0.80 sec test 34 Start 34: co_cis 34: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "co_cis.mop" 34: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev 34: Test timeout computed to be: 10000000 - 23/123 Test #19: pdb_compare4 ..................... Passed 0.55 sec +19: +19: +19: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX.mop" ended normally on Jun 17, 2025, at 15:37. +19: + 23/123 Test #19: pdb_compare4 ..................... Passed 1.00 sec test 35 Start 35: co_cis_2 35: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "co_cis_2.mop" 35: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev 35: Test timeout computed to be: 10000000 - 24/123 Test #18: pdb_compare3 ..................... Passed 0.64 sec +34: +34: +34: MOPAC Job: "co_cis.mop" ended normally on Jun 17, 2025, at 15:37. +34: + 24/123 Test #18: pdb_compare3 ..................... Passed 1.09 sec test 36 Start 36: co_cis_PM7 36: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "co_cis_PM7.mop" 36: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev 36: Test timeout computed to be: 10000000 - 25/123 Test #17: pdb_compare2 ..................... Passed 0.67 sec +32: +32: +32: MOPAC Job: "benzene.mop" ended normally on Jun 17, 2025, at 15:37. +32: +33: +33: +33: MOPAC Job: "co_cas.mop" ended normally on Jun 17, 2025, at 15:37. +33: + 25/123 Test #34: co_cis ........................... Passed 0.26 sec test 37 Start 37: co_cis_active 37: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "co_cis_active.mop" 37: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev 37: Test timeout computed to be: 10000000 -34: -34: -34: MOPAC Job: "co_cis.mop" ended normally on May 14, 2024, at 07:12. -34: -35: -35: -35: MOPAC Job: "co_cis_2.mop" ended normally on May 14, 2024, at 07:12. -35: - 26/123 Test #34: co_cis ........................... Passed 0.19 sec + 26/123 Test #32: benzene .......................... Passed 0.35 sec test 38 Start 38: co_cis_solv 38: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "co_cis_solv.mop" 38: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev 38: Test timeout computed to be: 10000000 -36: -36: -36: MOPAC Job: "co_cis_PM7.mop" ended normally on May 14, 2024, at 07:12. -36: -36: WARNING: numerical heat mismatch between -16.98521 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/INDO-dev and -16.98542 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -36: WARNING: numerical mismatch between -71.06612 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/INDO-dev and -71.06698 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac - 27/123 Test #35: co_cis_2 ......................... Passed 0.19 sec + 27/123 Test #33: co_cas ........................... Passed 0.38 sec test 39 Start 39: co_cis_tdip 39: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "co_cis_tdip.mop" 39: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev 39: Test timeout computed to be: 10000000 +35: +35: +35: MOPAC Job: "co_cis_2.mop" ended normally on Jun 17, 2025, at 15:37. +35: 37: 37: -37: MOPAC Job: "co_cis_active.mop" ended normally on May 14, 2024, at 07:12. +37: MOPAC Job: "co_cis_active.mop" ended normally on Jun 17, 2025, at 15:37. 37: -20: -20: -20: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR.mop" ended normally on May 14, 2024, at 07:12. -20: - 28/123 Test #36: co_cis_PM7 ....................... Passed 0.20 sec +38: +38: +38: MOPAC Job: "co_cis_solv.mop" ended normally on Jun 17, 2025, at 15:37. +38: + 28/123 Test #38: co_cis_solv ...................... Passed 0.23 sec test 40 Start 40: co_cis_trip 40: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "co_cis_trip.mop" 40: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev 40: Test timeout computed to be: 10000000 - 29/123 Test #37: co_cis_active .................... Passed 0.19 sec + 29/123 Test #35: co_cis_2 ......................... Passed 0.35 sec + 30/123 Test #37: co_cis_active .................... Passed 0.26 sec test 41 Start 41: co_cis_wrtconf 41: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "co_cis_wrtconf.mop" 41: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev 41: Test timeout computed to be: 10000000 -38: -38: -38: MOPAC Job: "co_cis_solv.mop" ended normally on May 14, 2024, at 07:12. -38: - 30/123 Test #20: pdb_compare5 ..................... Passed 0.69 sec test 42 Start 42: co_cisd 42: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "co_cisd.mop" 42: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev 42: Test timeout computed to be: 10000000 +36: +36: +36: MOPAC Job: "co_cis_PM7.mop" ended normally on Jun 17, 2025, at 15:37. +36: +36: WARNING: numerical heat mismatch between -16.98521 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/INDO-dev and -16.98542 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +36: WARNING: numerical mismatch between -71.06612 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/INDO-dev and -71.06698 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 39: 39: -39: MOPAC Job: "co_cis_tdip.mop" ended normally on May 14, 2024, at 07:12. +39: MOPAC Job: "co_cis_tdip.mop" ended normally on Jun 17, 2025, at 15:37. 39: - 31/123 Test #38: co_cis_solv ...................... Passed 0.20 sec + 31/123 Test #36: co_cis_PM7 ....................... Passed 0.38 sec test 43 Start 43: co_cisd_quin 43: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "co_cisd_quin.mop" 43: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev 43: Test timeout computed to be: 10000000 - 32/123 Test #39: co_cis_tdip ...................... Passed 0.19 sec + 32/123 Test #39: co_cis_tdip ...................... Passed 0.33 sec test 44 Start 44: co_cisd_solv 44: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "co_cisd_solv.mop" 44: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev 44: Test timeout computed to be: 10000000 -40: -40: -40: MOPAC Job: "co_cis_trip.mop" ended normally on May 14, 2024, at 07:12. -40: -41: -41: -41: MOPAC Job: "co_cis_wrtconf.mop" ended normally on May 14, 2024, at 07:12. -41: - 33/123 Test #40: co_cis_trip ...................... Passed 0.21 sec +42: +42: +42: MOPAC Job: "co_cisd.mop" ended normally on Jun 17, 2025, at 15:37. +42: +43: Spin is incompatible with INDO +43: +43: +43: MOPAC Job: "co_cisd_quin.mop" ended normally on Jun 17, 2025, at 15:37. +43: + 33/123 Test #42: co_cisd .......................... Passed 0.23 sec test 45 Start 45: co_cisd_trip 45: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "co_cisd_trip.mop" 45: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev 45: Test timeout computed to be: 10000000 - 34/123 Test #41: co_cis_wrtconf ................... Passed 0.20 sec + 34/123 Test #43: co_cisd_quin ..................... Passed 0.19 sec test 46 Start 46: co_extern 46: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "co_extern.mop" "param.txt" 46: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev 46: Test timeout computed to be: 10000000 -42: -42: -42: MOPAC Job: "co_cisd.mop" ended normally on May 14, 2024, at 07:12. -42: -43: Spin is incompatible with INDO -43: -43: -43: MOPAC Job: "co_cisd_quin.mop" ended normally on May 14, 2024, at 07:12. -43: -44: -44: -44: MOPAC Job: "co_cisd_solv.mop" ended normally on May 14, 2024, at 07:12. -44: - 35/123 Test #42: co_cisd .......................... Passed 0.23 sec +40: +40: +40: MOPAC Job: "co_cis_trip.mop" ended normally on Jun 17, 2025, at 15:37. +40: +41: +41: +41: MOPAC Job: "co_cis_wrtconf.mop" ended normally on Jun 17, 2025, at 15:37. +41: + 35/123 Test #40: co_cis_trip ...................... Passed 0.36 sec test 47 Start 47: co_fail 47: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "co_fail.mop" 47: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev 47: Test timeout computed to be: 10000000 - 36/123 Test #43: co_cisd_quin ..................... Passed 0.20 sec + 36/123 Test #41: co_cis_wrtconf ................... Passed 0.40 sec test 48 Start 48: co_field 48: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "co_field.mop" 48: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev 48: Test timeout computed to be: 10000000 - 37/123 Test #44: co_cisd_solv ..................... Passed 0.19 sec +46: +46: +46: MOPAC Job: "co_extern.mop" ended normally on Jun 17, 2025, at 15:37. +46: +44: +44: +44: MOPAC Job: "co_cisd_solv.mop" ended normally on Jun 17, 2025, at 15:37. +44: + 37/123 Test #46: co_extern ........................ Passed 0.21 sec test 49 Start 49: co_mrci @@ -2410,125 +2450,121 @@ 49: Test timeout computed to be: 10000000 45: 45: -45: MOPAC Job: "co_cisd_trip.mop" ended normally on May 14, 2024, at 07:12. +45: MOPAC Job: "co_cisd_trip.mop" ended normally on Jun 17, 2025, at 15:37. 45: -46: -46: -46: MOPAC Job: "co_extern.mop" ended normally on May 14, 2024, at 07:12. -46: - 38/123 Test #45: co_cisd_trip ..................... Passed 0.20 sec +47: FORCE is incompatible with INDO +47: +47: +47: MOPAC Job: "co_fail.mop" ended normally on Jun 17, 2025, at 15:37. +47: + 38/123 Test #44: co_cisd_solv ..................... Passed 0.42 sec test 50 Start 50: co_mrci_maxci 50: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "co_mrci_maxci.mop" 50: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev 50: Test timeout computed to be: 10000000 - 39/123 Test #46: co_extern ........................ Passed 0.21 sec + 39/123 Test #47: co_fail .......................... Passed 0.24 sec test 51 Start 51: co_mrci_solv 51: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "co_mrci_solv.mop" 51: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev 51: Test timeout computed to be: 10000000 -47: FORCE is incompatible with INDO -47: -47: -47: MOPAC Job: "co_fail.mop" ended normally on May 14, 2024, at 07:12. -47: -48: -48: -48: MOPAC Job: "co_field.mop" ended normally on May 14, 2024, at 07:12. -48: - 40/123 Test #47: co_fail .......................... Passed 0.20 sec + 40/123 Test #45: co_cisd_trip ..................... Passed 0.37 sec test 52 Start 52: co_pm7 52: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "co_pm7.mop" 52: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev 52: Test timeout computed to be: 10000000 +48: +48: +48: MOPAC Job: "co_field.mop" ended normally on Jun 17, 2025, at 15:37. +48: 49: 49: -49: MOPAC Job: "co_mrci.mop" ended normally on May 14, 2024, at 07:12. +49: MOPAC Job: "co_mrci.mop" ended normally on Jun 17, 2025, at 15:37. 49: - 41/123 Test #48: co_field ......................... Passed 0.23 sec + 41/123 Test #49: co_mrci .......................... Passed 0.25 sec test 53 Start 53: co_pm7_solv 53: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "co_pm7_solv.mop" 53: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev 53: Test timeout computed to be: 10000000 -50: -50: -50: MOPAC Job: "co_mrci_maxci.mop" ended normally on May 14, 2024, at 07:12. -50: - 42/123 Test #49: co_mrci .......................... Passed 0.23 sec + 42/123 Test #48: co_field ......................... Passed 0.36 sec test 54 Start 54: co_print 54: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "co_print.mop" 54: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev 54: Test timeout computed to be: 10000000 - 43/123 Test #50: co_mrci_maxci .................... Passed 0.21 sec -test 55 - Start 55: no_cis_quar - -55: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "no_cis_quar.mop" -55: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev -55: Test timeout computed to be: 10000000 +50: +50: +50: MOPAC Job: "co_mrci_maxci.mop" ended normally on Jun 17, 2025, at 15:37. +50: 51: 51: -51: MOPAC Job: "co_mrci_solv.mop" ended normally on May 14, 2024, at 07:12. +51: MOPAC Job: "co_mrci_solv.mop" ended normally on Jun 17, 2025, at 15:37. 51: 52: 52: -52: MOPAC Job: "co_pm7.mop" ended normally on May 14, 2024, at 07:12. +52: MOPAC Job: "co_pm7.mop" ended normally on Jun 17, 2025, at 15:37. 52: + 43/123 Test #50: co_mrci_maxci .................... Passed 0.30 sec +test 55 + Start 55: no_cis_quar + +55: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "no_cis_quar.mop" +55: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev +55: Test timeout computed to be: 10000000 52: WARNING: numerical heat mismatch between -16.98521 on reference line 68 in /build/reproducible-path/mopac-22.1.1/tests/INDO-dev and -16.98542 on output line 68 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 52: WARNING: numerical mismatch between -71.06612 on reference line 68 in /build/reproducible-path/mopac-22.1.1/tests/INDO-dev and -71.06698 on output line 68 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac - 44/123 Test #51: co_mrci_solv ..................... Passed 0.26 sec + 44/123 Test #51: co_mrci_solv ..................... Passed 0.29 sec test 56 Start 56: no_mrci 56: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "no_mrci.mop" 56: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev 56: Test timeout computed to be: 10000000 - 45/123 Test #52: co_pm7 ........................... Passed 0.20 sec -test 57 - Start 57: noparam - -57: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "noparam.mop" -57: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev -57: Test timeout computed to be: 10000000 53: 53: -53: MOPAC Job: "co_pm7_solv.mop" ended normally on May 14, 2024, at 07:12. +53: MOPAC Job: "co_pm7_solv.mop" ended normally on Jun 17, 2025, at 15:37. 53: +54: WARNING: Specified print options may not behave as expected with INDO 53: WARNING: numerical heat mismatch between -19.6414 on reference line 69 in /build/reproducible-path/mopac-22.1.1/tests/INDO-dev and -19.64161 on output line 69 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 53: WARNING: numerical mismatch between -82.17963 on reference line 69 in /build/reproducible-path/mopac-22.1.1/tests/INDO-dev and -82.1805 on output line 69 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -54: WARNING: Specified print options may not behave as expected with INDO 54: 54: -54: MOPAC Job: "co_print.mop" ended normally on May 14, 2024, at 07:12. +54: MOPAC Job: "co_print.mop" ended normally on Jun 17, 2025, at 15:37. 54: - 46/123 Test #53: co_pm7_solv ...................... Passed 0.21 sec + 45/123 Test #52: co_pm7 ........................... Passed 0.31 sec +test 57 + Start 57: noparam + +57: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "noparam.mop" +57: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev +57: Test timeout computed to be: 10000000 + 46/123 Test #53: co_pm7_solv ...................... Passed 0.25 sec test 58 Start 58: poly_c8 58: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "poly_c8.mop" 58: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev 58: Test timeout computed to be: 10000000 - 47/123 Test #54: co_print ......................... Passed 0.20 sec + 47/123 Test #54: co_print ......................... Passed 0.22 sec test 59 Start 59: poly_c8_mr 59: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "poly_c8_mr.mop" 59: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/INDO-dev 59: Test timeout computed to be: 10000000 -55: -55: -55: MOPAC Job: "no_cis_quar.mop" ended normally on May 14, 2024, at 07:12. -55: - 48/123 Test #55: no_cis_quar ...................... Passed 0.21 sec +21: +21: +21: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9.mop" ended normally on Jun 17, 2025, at 15:37. +21: + 48/123 Test #21: pdb_compare6 ..................... Passed 2.35 sec test 60 Start 60: key-ampersand @@ -2537,29 +2573,33 @@ 60: Test timeout computed to be: 10000000 57: 57: -57: MOPAC Job: "noparam.mop" ended normally on May 14, 2024, at 07:12. +57: MOPAC Job: "noparam.mop" ended normally on Jun 17, 2025, at 15:37. 57: -56: -56: -56: MOPAC Job: "no_mrci.mop" ended normally on May 14, 2024, at 07:12. -56: - 49/123 Test #57: noparam .......................... Passed 0.19 sec +55: +55: +55: MOPAC Job: "no_cis_quar.mop" ended normally on Jun 17, 2025, at 15:37. +55: + 49/123 Test #55: no_cis_quar ...................... Passed 0.33 sec test 61 Start 61: key-plus 61: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "plus.mop" 61: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 61: Test timeout computed to be: 10000000 - 50/123 Test #56: no_mrci .......................... Passed 0.25 sec + 50/123 Test #57: noparam .......................... Passed 0.31 sec test 62 Start 62: key-plusplus 62: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "plusplus.mop" 62: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 62: Test timeout computed to be: 10000000 +56: +56: +56: MOPAC Job: "no_mrci.mop" ended normally on Jun 17, 2025, at 15:37. +56: 60: 60: -60: MOPAC Job: "ampersand.mop" ended normally on May 14, 2024, at 07:12. +60: MOPAC Job: "ampersand.mop" ended normally on Jun 17, 2025, at 15:37. 60: 60: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 60: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac @@ -2567,41 +2607,41 @@ 60: WARNING: numerical mismatch between -322.86699 on reference line 211 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 211 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 60: WARNING: numerical heat mismatch between -77.16706 on reference line 352 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 352 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 60: WARNING: numerical mismatch between -322.86699 on reference line 352 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 352 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac - 51/123 Test #60: key-ampersand .................... Passed 0.22 sec + 51/123 Test #60: key-ampersand .................... Passed 0.24 sec test 63 Start 63: key-0SCF 63: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "0SCF.mop" 63: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 63: Test timeout computed to be: 10000000 -61: -61: -61: MOPAC Job: "plus.mop" ended normally on May 14, 2024, at 07:12. -61: -61: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -61: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -61: WARNING: numerical heat mismatch between -77.16706 on reference line 211 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 211 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -61: WARNING: numerical mismatch between -322.86699 on reference line 211 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 211 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -61: WARNING: numerical heat mismatch between -77.16706 on reference line 353 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 353 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -61: WARNING: numerical mismatch between -322.86699 on reference line 353 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 353 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -62: -62: -62: MOPAC Job: "plusplus.mop" ended normally on May 14, 2024, at 07:12. -62: - 52/123 Test #61: key-plus ......................... Passed 0.22 sec + 52/123 Test #56: no_mrci .......................... Passed 0.48 sec test 64 Start 64: key-1ELECTRON 64: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "1ELECTRON.mop" 64: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 64: Test timeout computed to be: 10000000 +61: +61: +61: MOPAC Job: "plus.mop" ended normally on Jun 17, 2025, at 15:37. +61: +62: +62: +62: MOPAC Job: "plusplus.mop" ended normally on Jun 17, 2025, at 15:37. +62: 62: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 62: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 62: WARNING: numerical heat mismatch between -77.16706 on reference line 210 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 210 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 62: WARNING: numerical mismatch between -322.86699 on reference line 210 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 210 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 62: WARNING: numerical heat mismatch between -77.16706 on reference line 350 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 350 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 62: WARNING: numerical mismatch between -322.86699 on reference line 350 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 350 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac - 53/123 Test #62: key-plusplus ..................... Passed 0.22 sec +61: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +61: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +61: WARNING: numerical heat mismatch between -77.16706 on reference line 211 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 211 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +61: WARNING: numerical mismatch between -322.86699 on reference line 211 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 211 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +61: WARNING: numerical heat mismatch between -77.16706 on reference line 353 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 353 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +61: WARNING: numerical mismatch between -322.86699 on reference line 353 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 353 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac + 53/123 Test #62: key-plusplus ..................... Passed 0.29 sec test 65 Start 65: key-1SCF @@ -2610,83 +2650,83 @@ 65: Test timeout computed to be: 10000000 63: 63: -63: MOPAC Job: "0SCF.mop" ended normally on May 14, 2024, at 07:12. +63: MOPAC Job: "0SCF.mop" ended normally on Jun 17, 2025, at 15:37. 63: -63: WARNING: numerical heat mismatch between -77.16706 on reference line 69 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 69 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -63: WARNING: numerical mismatch between -322.86699 on reference line 69 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 69 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -63: WARNING: numerical heat mismatch between -77.16706 on reference line 264 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 264 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -63: WARNING: numerical mismatch between -322.86699 on reference line 264 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 264 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac - 54/123 Test #63: key-0SCF ......................... Passed 0.22 sec + 54/123 Test #61: key-plus ......................... Passed 0.34 sec test 66 Start 66: key-A0 66: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "A0.mop" 66: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 66: Test timeout computed to be: 10000000 +63: WARNING: numerical heat mismatch between -77.16706 on reference line 69 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 69 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +63: WARNING: numerical mismatch between -322.86699 on reference line 69 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 69 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +63: WARNING: numerical heat mismatch between -77.16706 on reference line 264 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 264 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +63: WARNING: numerical mismatch between -322.86699 on reference line 264 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 264 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 64: 64: -64: MOPAC Job: "1ELECTRON.mop" ended normally on May 14, 2024, at 07:12. +64: MOPAC Job: "1ELECTRON.mop" ended normally on Jun 17, 2025, at 15:37. 64: 64: WARNING: numerical heat mismatch between -84.51541 on reference line 81 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.51572 on output line 81 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 64: WARNING: numerical mismatch between -353.61248 on reference line 81 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -353.61376 on output line 81 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 64: WARNING: numerical heat mismatch between -84.51541 on reference line 234 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.51572 on output line 234 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 64: WARNING: numerical mismatch between -353.61248 on reference line 234 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -353.61376 on output line 234 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -65: -65: -65: MOPAC Job: "1SCF.mop" ended normally on May 14, 2024, at 07:12. -65: -65: WARNING: numerical heat mismatch between -84.34612 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.34643 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -65: WARNING: numerical mismatch between -352.90418 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -352.90546 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac - 55/123 Test #64: key-1ELECTRON .................... Passed 0.22 sec + 55/123 Test #63: key-0SCF ......................... Passed 0.28 sec test 67 Start 67: key-AIGIN 67: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "AIGIN.mop" 67: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 67: Test timeout computed to be: 10000000 - 56/123 Test #65: key-1SCF ......................... Passed 0.21 sec + 56/123 Test #64: key-1ELECTRON .................... Passed 0.26 sec test 68 Start 68: key-AIGOUT 68: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "AIGOUT.mop" 68: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 68: Test timeout computed to be: 10000000 +65: +65: +65: MOPAC Job: "1SCF.mop" ended normally on Jun 17, 2025, at 15:37. +65: +65: WARNING: numerical heat mismatch between -84.34612 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.34643 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +65: WARNING: numerical mismatch between -352.90418 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -352.90546 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 66: 66: -66: MOPAC Job: "A0.mop" ended normally on May 14, 2024, at 07:12. +66: MOPAC Job: "A0.mop" ended normally on Jun 17, 2025, at 15:37. 66: 66: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.51571 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 66: WARNING: numerical mismatch between -353.61246 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -353.61374 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac - 57/123 Test #66: key-A0 ........................... Passed 0.20 sec +31: +31: +31: MOPAC Job: "ag20_cis_active.mop" ended normally on Jun 17, 2025, at 15:37. +31: + 57/123 Test #65: key-1SCF ......................... Passed 0.21 sec test 69 Start 69: key-ALLBONDS 69: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "ALLBONDS.mop" 69: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 69: Test timeout computed to be: 10000000 -67: -67: -67: MOPAC Job: "AIGIN.mop" ended normally on May 14, 2024, at 07:12. -67: -67: WARNING: numerical heat mismatch between -18.19788 on reference line 106 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -18.19844 on output line 106 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -67: WARNING: numerical mismatch between -76.13994 on reference line 106 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -76.14227 on output line 106 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 68: 68: -68: MOPAC Job: "AIGOUT.mop" ended normally on May 14, 2024, at 07:12. +68: MOPAC Job: "AIGOUT.mop" ended normally on Jun 17, 2025, at 15:37. 68: - 58/123 Test #67: key-AIGIN ........................ Passed 0.20 sec +68: WARNING: numerical heat mismatch between -18.19788 on reference line 86 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -18.19844 on output line 86 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +68: WARNING: numerical mismatch between -76.13994 on reference line 86 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -76.14227 on output line 86 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac + 58/123 Test #66: key-A0 ........................... Passed 0.26 sec test 70 Start 70: key-ALLVEC 70: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "ALLVEC.mop" 70: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 70: Test timeout computed to be: 10000000 -68: WARNING: numerical heat mismatch between -18.19788 on reference line 86 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -18.19844 on output line 86 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -68: WARNING: numerical mismatch between -76.13994 on reference line 86 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -76.14227 on output line 86 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -21: -21: -21: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9.mop" ended normally on May 14, 2024, at 07:12. -21: +67: +67: +67: MOPAC Job: "AIGIN.mop" ended normally on Jun 17, 2025, at 15:37. +67: +67: WARNING: numerical heat mismatch between -18.19788 on reference line 106 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -18.19844 on output line 106 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +67: WARNING: numerical mismatch between -76.13994 on reference line 106 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -76.14227 on output line 106 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 59/123 Test #68: key-AIGOUT ....................... Passed 0.21 sec test 71 Start 71: key-AM1 @@ -2694,76 +2734,72 @@ 71: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "AM1.mop" 71: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 71: Test timeout computed to be: 10000000 -69: -69: -69: MOPAC Job: "ALLBONDS.mop" ended normally on May 14, 2024, at 07:12. -69: - 60/123 Test #21: pdb_compare6 ..................... Passed 2.21 sec + 60/123 Test #31: ag20_cis_active .................. Passed 3.01 sec test 72 Start 72: key-ANGSTROMS 72: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "ANGSTROMS.mop" 72: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 72: Test timeout computed to be: 10000000 + 61/123 Test #67: key-AIGIN ........................ Passed 0.31 sec +test 73 + Start 73: key-AUTOSYM + +73: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "AUTOSYM.mop" +73: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords +73: Test timeout computed to be: 10000000 +69: +69: +69: MOPAC Job: "ALLBONDS.mop" ended normally on Jun 17, 2025, at 15:37. +69: +71: +71: +71: MOPAC Job: "AM1.mop" ended normally on Jun 17, 2025, at 15:37. +71: 69: WARNING: numerical heat mismatch between -18.19689 on reference line 86 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -18.19745 on output line 86 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 69: WARNING: numerical mismatch between -76.13581 on reference line 86 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -76.13814 on output line 86 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 69: WARNING: numerical heat mismatch between -18.19689 on reference line 252 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -18.19745 on output line 252 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 69: WARNING: numerical mismatch between -76.13581 on reference line 252 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -76.13814 on output line 252 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 69: WARNING: numerical heat mismatch between -18.19689 on reference line 426 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -18.19745 on output line 426 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 69: WARNING: numerical mismatch between -76.13581 on reference line 426 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -76.13814 on output line 426 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +71: WARNING: numerical heat mismatch between -79.8614 on reference line 81 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -79.86171 on output line 81 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +71: WARNING: numerical mismatch between -334.1401 on reference line 81 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -334.14139 on output line 81 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 70: 70: -70: MOPAC Job: "ALLVEC.mop" ended normally on May 14, 2024, at 07:12. +70: MOPAC Job: "ALLVEC.mop" ended normally on Jun 17, 2025, at 15:37. 70: +72: +72: +72: MOPAC Job: "ANGSTROMS.mop" ended normally on Jun 17, 2025, at 15:37. +72: +72: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.51572 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +72: WARNING: numerical mismatch between -353.61248 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -353.61376 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 70: WARNING: numerical heat mismatch between -18.19788 on reference line 85 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -18.19844 on output line 85 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 70: WARNING: numerical mismatch between -76.13994 on reference line 85 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -76.14227 on output line 85 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 70: WARNING: numerical heat mismatch between -18.19788 on reference line 262 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -18.19844 on output line 262 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 70: WARNING: numerical mismatch between -76.13994 on reference line 262 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -76.14227 on output line 262 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac - 61/123 Test #69: key-ALLBONDS ..................... Passed 0.23 sec -test 73 - Start 73: key-AUTOSYM - -73: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "AUTOSYM.mop" -73: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords -73: Test timeout computed to be: 10000000 -71: -71: -71: MOPAC Job: "AM1.mop" ended normally on May 14, 2024, at 07:12. -71: -31: -31: -31: MOPAC Job: "ag20_cis_active.mop" ended normally on May 14, 2024, at 07:12. -31: -71: WARNING: numerical heat mismatch between -79.8614 on reference line 81 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -79.86171 on output line 81 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -71: WARNING: numerical mismatch between -334.1401 on reference line 81 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -334.14139 on output line 81 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac - 62/123 Test #70: key-ALLVEC ....................... Passed 0.22 sec + 62/123 Test #69: key-ALLBONDS ..................... Passed 0.30 sec test 74 Start 74: key-BIRADICAL 74: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "BIRADICAL.mop" 74: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 74: Test timeout computed to be: 10000000 - 63/123 Test #71: key-AM1 .......................... Passed 0.21 sec + 63/123 Test #71: key-AM1 .......................... Passed 0.25 sec test 75 Start 75: key-CdotAdotSdot 75: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "CdotAdotSdot.mop" 75: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 75: Test timeout computed to be: 10000000 - 64/123 Test #31: ag20_cis_active .................. Passed 2.74 sec + 64/123 Test #70: key-ALLVEC ....................... Passed 0.30 sec + 65/123 Test #72: key-ANGSTROMS .................... Passed 0.25 sec test 76 Start 76: key-CdotIdot 76: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "CdotIdot.mop" 76: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 76: Test timeout computed to be: 10000000 -72: -72: -72: MOPAC Job: "ANGSTROMS.mop" ended normally on May 14, 2024, at 07:12. -72: -72: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.51572 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -72: WARNING: numerical mismatch between -353.61248 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -353.61376 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac - 65/123 Test #72: key-ANGSTROMS .................... Passed 0.24 sec test 77 Start 77: key-CdotIdotDdot @@ -2772,11 +2808,11 @@ 77: Test timeout computed to be: 10000000 73: 73: -73: MOPAC Job: "AUTOSYM.mop" ended normally on May 14, 2024, at 07:12. +73: MOPAC Job: "AUTOSYM.mop" ended normally on Jun 17, 2025, at 15:37. 73: 73: WARNING: numerical heat mismatch between 22.9565 on reference line 102 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 22.95541 on output line 102 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 73: WARNING: numerical mismatch between 96.05001 on reference line 102 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 96.04545 on output line 102 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac - 66/123 Test #73: key-AUTOSYM ...................... Passed 0.28 sec + 66/123 Test #73: key-AUTOSYM ...................... Passed 0.32 sec test 78 Start 78: key-CHARGE @@ -2785,26 +2821,26 @@ 78: Test timeout computed to be: 10000000 76: 76: -76: MOPAC Job: "CdotIdot.mop" ended normally on May 14, 2024, at 07:12. +76: MOPAC Job: "CdotIdot.mop" ended normally on Jun 17, 2025, at 15:37. 76: +77: +77: +77: MOPAC Job: "CdotIdotDdot.mop" ended normally on Jun 17, 2025, at 15:37. +77: 76: WARNING: numerical heat mismatch between 14.6638 on reference line 76 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 14.66335 on output line 76 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 76: WARNING: numerical mismatch between 61.35332 on reference line 76 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 61.35146 on output line 76 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 76: WARNING: numerical heat mismatch between 8.74306 on reference line 235 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 8.74262 on output line 235 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 76: WARNING: numerical mismatch between 36.58098 on reference line 235 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 36.57911 on output line 235 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 76: WARNING: numerical heat mismatch between 8.74306 on reference line 394 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 8.74262 on output line 394 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 76: WARNING: numerical mismatch between 36.58098 on reference line 394 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 36.57911 on output line 394 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac - 67/123 Test #76: key-CdotIdot ..................... Passed 0.22 sec + 67/123 Test #76: key-CdotIdot ..................... Passed 0.29 sec test 79 Start 79: key-CIS 79: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "CIS.mop" 79: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 79: Test timeout computed to be: 10000000 -77: -77: -77: MOPAC Job: "CdotIdotDdot.mop" ended normally on May 14, 2024, at 07:12. -77: - 68/123 Test #77: key-CdotIdotDdot ................. Passed 0.25 sec + 68/123 Test #77: key-CdotIdotDdot ................. Passed 0.30 sec test 80 Start 80: key-CISD @@ -2813,79 +2849,86 @@ 80: Test timeout computed to be: 10000000 78: 78: -78: MOPAC Job: "CHARGE.mop" ended normally on May 14, 2024, at 07:12. +78: MOPAC Job: "CHARGE.mop" ended normally on Jun 17, 2025, at 15:37. 78: -74: -74: -74: MOPAC Job: "BIRADICAL.mop" ended normally on May 14, 2024, at 07:12. -74: 78: WARNING: numerical mismatch between 869.38904 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 869.38917 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 78: WARNING: numerical heat mismatch between 360.4549 on reference line 210 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 360.45506 on output line 210 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 78: WARNING: numerical mismatch between 1508.14332 on reference line 210 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1508.14397 on output line 210 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 78: WARNING: numerical mismatch between 981.81163 on reference line 359 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 981.81185 on output line 359 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +74: +74: +74: MOPAC Job: "BIRADICAL.mop" ended normally on Jun 17, 2025, at 15:37. +74: 74: WARNING: numerical heat mismatch between 86.55356 on reference line 118 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 86.55281 on output line 118 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 74: WARNING: numerical mismatch between 362.14011 on reference line 118 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 362.13696 on output line 118 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 74: WARNING: numerical heat mismatch between 86.55356 on reference line 334 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 86.55281 on output line 334 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 74: WARNING: numerical mismatch between 362.14011 on reference line 334 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 362.13696 on output line 334 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -58: -58: -58: MOPAC Job: "poly_c8.mop" ended normally on May 14, 2024, at 07:12. -58: -79: -79: -79: MOPAC Job: "CIS.mop" ended normally on May 14, 2024, at 07:12. -79: - 69/123 Test #78: key-CHARGE ....................... Passed 0.28 sec + 69/123 Test #78: key-CHARGE ....................... Passed 0.25 sec test 81 Start 81: key-CISDT 81: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "CISDT.mop" 81: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 81: Test timeout computed to be: 10000000 -79: WARNING: numerical heat mismatch between 8.74306 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 8.74262 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -79: WARNING: numerical mismatch between 36.58098 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 36.57911 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -79: WARNING: numerical heat mismatch between 14.6638 on reference line 273 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 14.66335 on output line 273 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -79: WARNING: numerical mismatch between 61.35332 on reference line 273 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 61.35146 on output line 273 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac - 70/123 Test #74: key-BIRADICAL .................... Passed 0.53 sec + 70/123 Test #74: key-BIRADICAL .................... Passed 0.48 sec test 82 Start 82: key-DISP 82: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "DISP.mop" 82: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 82: Test timeout computed to be: 10000000 +79: +79: +79: MOPAC Job: "CIS.mop" ended normally on Jun 17, 2025, at 15:37. +79: +79: WARNING: numerical heat mismatch between 8.74306 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 8.74262 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +79: WARNING: numerical mismatch between 36.58098 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 36.57911 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +79: WARNING: numerical heat mismatch between 14.6638 on reference line 273 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 14.66335 on output line 273 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +79: WARNING: numerical mismatch between 61.35332 on reference line 273 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 61.35146 on output line 273 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 80: 80: -80: MOPAC Job: "CISD.mop" ended normally on May 14, 2024, at 07:12. +80: MOPAC Job: "CISD.mop" ended normally on Jun 17, 2025, at 15:37. 80: - 71/123 Test #79: key-CIS .......................... Passed 0.26 sec +58: +58: +58: MOPAC Job: "poly_c8.mop" ended normally on Jun 17, 2025, at 15:37. +58: +28: +28: +28: MOPAC Job: "erratic2.mop" ended normally on Jun 17, 2025, at 15:37. +28: +80: WARNING: numerical heat mismatch between 7.84782 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 7.84737 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +80: WARNING: numerical mismatch between 32.83528 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 32.8334 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +80: WARNING: numerical heat mismatch between 7.85711 on reference line 401 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 7.85666 on output line 401 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +80: WARNING: numerical mismatch between 32.87415 on reference line 401 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 32.87228 on output line 401 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac + 71/123 Test #79: key-CIS .......................... Passed 0.27 sec test 83 Start 83: key-DOUBLET 83: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "DOUBLET.mop" 83: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 83: Test timeout computed to be: 10000000 -80: WARNING: numerical heat mismatch between 7.84782 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 7.84737 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -80: WARNING: numerical mismatch between 32.83528 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 32.8334 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -80: WARNING: numerical heat mismatch between 7.85711 on reference line 401 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 7.85666 on output line 401 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -80: WARNING: numerical mismatch between 32.87415 on reference line 401 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 32.87228 on output line 401 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac - 72/123 Test #58: poly_c8 .......................... Passed 1.61 sec +28: WARNING: numerical mismatch between 535.23 on reference line 257 in /build/reproducible-path/mopac-22.1.1/tests and 535.22 on output line 257 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +28: WARNING: numerical mismatch between -35.33516 on reference line 415 in /build/reproducible-path/mopac-22.1.1/tests and -35.33533 on output line 415 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +28: WARNING: numerical mismatch between 7.03458 on reference line 433 in /build/reproducible-path/mopac-22.1.1/tests and 7.03469 on output line 433 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +82: +82: +82: MOPAC Job: "DISP.mop" ended normally on Jun 17, 2025, at 15:37. +82: + 72/123 Test #58: poly_c8 .......................... Passed 1.77 sec test 84 Start 84: key-EXTERNAL 84: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "EXTERNAL.mop" "EXTERNAL.dat" 84: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 84: Test timeout computed to be: 10000000 - 73/123 Test #80: key-CISD ......................... Passed 0.25 sec + 73/123 Test #80: key-CISD ......................... Passed 0.34 sec test 85 Start 85: key-EXTERNAL-2 85: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "EXTERNAL_2.mop" 85: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 85: Test timeout computed to be: 10000000 -82: -82: -82: MOPAC Job: "DISP.mop" ended normally on May 14, 2024, at 07:12. -82: 82: WARNING: numerical heat mismatch between -192.3822 on reference line 86 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -192.38299 on output line 86 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 82: WARNING: numerical mismatch between -804.92711 on reference line 86 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -804.93045 on output line 86 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 82: WARNING: numerical mismatch between -33809.56058 on reference line 88 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -33809.58819 on output line 88 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac @@ -2902,17 +2945,32 @@ 82: WARNING: numerical mismatch between -192.3822 on reference line 293 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -192.38299 on output line 293 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 82: WARNING: numerical mismatch between -4519.7709 on reference line 304 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -4519.77115 on output line 304 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 82: WARNING: numerical mismatch between 3053.64839 on reference line 305 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 3053.64864 on output line 305 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -83: -83: -83: MOPAC Job: "DOUBLET.mop" ended normally on May 14, 2024, at 07:12. -83: - 74/123 Test #82: key-DISP ......................... Passed 0.23 sec + 74/123 Test #28: erratic-2 ........................ Passed 4.42 sec test 86 Start 86: key-INDO 86: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "INDO.mop" 86: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 86: Test timeout computed to be: 10000000 + 75/123 Test #82: key-DISP ......................... Passed 0.32 sec +test 87 + Start 87: key-MAXCI + +87: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "MAXCI.mop" +87: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords +87: Test timeout computed to be: 10000000 +83: +83: +83: MOPAC Job: "DOUBLET.mop" ended normally on Jun 17, 2025, at 15:37. +83: +85: +85: +85: MOPAC Job: "EXTERNAL_2.mop" ended normally on Jun 17, 2025, at 15:37. +85: +86: +86: +86: MOPAC Job: "INDO.mop" ended normally on Jun 17, 2025, at 15:37. +86: 83: WARNING: numerical mismatch between 463.20296 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 463.20324 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 83: WARNING: numerical mismatch between 463.20296 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 463.20324 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 83: WARNING: numerical mismatch between 580.44941 on reference line 371 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 580.44979 on output line 371 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac @@ -2921,121 +2979,89 @@ 83: WARNING: numerical mismatch between 580.44941 on reference line 801 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 580.44979 on output line 801 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 84: 84: -84: MOPAC Job: "EXTERNAL.mop" ended normally on May 14, 2024, at 07:12. +84: MOPAC Job: "EXTERNAL.mop" ended normally on Jun 17, 2025, at 15:37. 84: - 75/123 Test #83: key-DOUBLET ...................... Passed 0.25 sec -test 87 - Start 87: key-MAXCI - -87: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "MAXCI.mop" -87: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords -87: Test timeout computed to be: 10000000 - 76/123 Test #84: key-EXTERNAL ..................... Passed 0.22 sec + 76/123 Test #85: key-EXTERNAL-2 ................... Passed 0.23 sec test 88 Start 88: key-MECI 88: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "MECI.mop" 88: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 88: Test timeout computed to be: 10000000 -85: -85: -85: MOPAC Job: "EXTERNAL_2.mop" ended normally on May 14, 2024, at 07:12. -85: -75: -75: -75: MOPAC Job: "CdotAdotSdot.mop" ended normally on May 14, 2024, at 07:12. -75: - 77/123 Test #85: key-EXTERNAL-2 ................... Passed 0.28 sec + 77/123 Test #83: key-DOUBLET ...................... Passed 0.33 sec test 89 Start 89: key-MNDO 89: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "MNDO.mop" 89: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 89: Test timeout computed to be: 10000000 -86: -86: -86: MOPAC Job: "INDO.mop" ended normally on May 14, 2024, at 07:12. -86: -28: -28: -28: MOPAC Job: "erratic2.mop" ended normally on May 14, 2024, at 07:12. -28: -87: -87: -87: MOPAC Job: "MAXCI.mop" ended normally on May 14, 2024, at 07:12. -87: -28: WARNING: numerical mismatch between 535.23 on reference line 257 in /build/reproducible-path/mopac-22.1.1/tests and 535.22 on output line 257 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -28: WARNING: numerical mismatch between -35.33516 on reference line 415 in /build/reproducible-path/mopac-22.1.1/tests and -35.33533 on output line 415 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -28: WARNING: numerical mismatch between 7.03458 on reference line 433 in /build/reproducible-path/mopac-22.1.1/tests and 7.03469 on output line 433 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -88: -88: -88: MOPAC Job: "MECI.mop" ended normally on May 14, 2024, at 07:12. -88: -88: WARNING: numerical heat mismatch between 8.74306 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 8.74262 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -88: WARNING: numerical mismatch between 36.58098 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 36.57911 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac - 78/123 Test #86: key-INDO ......................... Passed 0.24 sec + 78/123 Test #86: key-INDO ......................... Passed 0.23 sec test 90 Start 90: key-MNDOD 90: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "MNDOD.mop" 90: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 90: Test timeout computed to be: 10000000 - 79/123 Test #75: key-CdotAdotSdot ................. Passed 0.98 sec +75: +75: +75: MOPAC Job: "CdotAdotSdot.mop" ended normally on Jun 17, 2025, at 15:37. +75: +87: +87: +87: MOPAC Job: "MAXCI.mop" ended normally on Jun 17, 2025, at 15:37. +87: + 79/123 Test #84: key-EXTERNAL ..................... Passed 0.31 sec test 91 Start 91: key-MRCI 91: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "MRCI.mop" 91: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 91: Test timeout computed to be: 10000000 - 80/123 Test #28: erratic-2 ........................ Passed 3.79 sec + 80/123 Test #75: key-CdotAdotSdot ................. Passed 1.02 sec test 92 Start 92: key-MS 92: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "MS.mop" 92: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 92: Test timeout computed to be: 10000000 - 81/123 Test #88: key-MECI ......................... Passed 0.20 sec + 81/123 Test #87: key-MAXCI ........................ Passed 0.26 sec test 93 Start 93: key-NOANCI 93: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "NOANCI.mop" 93: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 93: Test timeout computed to be: 10000000 - 82/123 Test #87: key-MAXCI ........................ Passed 0.23 sec +88: +88: +88: MOPAC Job: "MECI.mop" ended normally on Jun 17, 2025, at 15:37. +88: +88: WARNING: numerical heat mismatch between 8.74306 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 8.74262 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +88: WARNING: numerical mismatch between 36.58098 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 36.57911 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +89: +89: +89: MOPAC Job: "MNDO.mop" ended normally on Jun 17, 2025, at 15:37. +89: +89: WARNING: numerical heat mismatch between -75.10973 on reference line 81 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -75.11002 on output line 81 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +89: WARNING: numerical mismatch between -314.25912 on reference line 81 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -314.26034 on output line 81 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +90: +90: +90: MOPAC Job: "MNDOD.mop" ended normally on Jun 17, 2025, at 15:37. +90: + 82/123 Test #88: key-MECI ......................... Passed 0.21 sec test 94 Start 94: key-NONET 94: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "NONET.mop" 94: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 94: Test timeout computed to be: 10000000 -89: -89: -89: MOPAC Job: "MNDO.mop" ended normally on May 14, 2024, at 07:12. -89: -89: WARNING: numerical heat mismatch between -75.10973 on reference line 81 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -75.11002 on output line 81 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -89: WARNING: numerical mismatch between -314.25912 on reference line 81 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -314.26034 on output line 81 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac - 83/123 Test #89: key-MNDO ......................... Passed 0.21 sec + 83/123 Test #89: key-MNDO ......................... Passed 0.20 sec test 95 Start 95: key-NOSYM 95: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "NOSYM.mop" 95: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 95: Test timeout computed to be: 10000000 -90: -90: -90: MOPAC Job: "MNDOD.mop" ended normally on May 14, 2024, at 07:12. -90: -92: -92: -92: MOPAC Job: "MS.mop" ended normally on May 14, 2024, at 07:12. -92: -93: -93: -93: MOPAC Job: "NOANCI.mop" ended normally on May 14, 2024, at 07:12. -93: -93: WARNING: numerical mismatch between 32.92723 on reference line 84 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 32.92687 on output line 84 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -93: WARNING: numerical mismatch between 32.92723 on reference line 236 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 32.92688 on output line 236 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac - 84/123 Test #90: key-MNDOD ........................ Passed 0.21 sec + 84/123 Test #90: key-MNDOD ........................ Passed 0.24 sec test 96 Start 96: key-OCTET @@ -3044,20 +3070,30 @@ 96: Test timeout computed to be: 10000000 91: 91: -91: MOPAC Job: "MRCI.mop" ended normally on May 14, 2024, at 07:12. +91: MOPAC Job: "MRCI.mop" ended normally on Jun 17, 2025, at 15:37. 91: +92: +92: +92: MOPAC Job: "MS.mop" ended normally on Jun 17, 2025, at 15:37. +92: +93: +93: +93: MOPAC Job: "NOANCI.mop" ended normally on Jun 17, 2025, at 15:37. +93: +93: WARNING: numerical mismatch between 32.92723 on reference line 84 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 32.92687 on output line 84 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +93: WARNING: numerical mismatch between 32.92723 on reference line 236 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 32.92688 on output line 236 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 94: 94: -94: MOPAC Job: "NONET.mop" ended normally on May 14, 2024, at 07:12. +94: MOPAC Job: "NONET.mop" ended normally on Jun 17, 2025, at 15:37. 94: - 85/123 Test #92: key-MS ........................... Passed 0.22 sec + 85/123 Test #91: key-MRCI ......................... Passed 0.32 sec test 97 Start 97: key-OPEN 97: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "OPEN.mop" 97: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 97: Test timeout computed to be: 10000000 - 86/123 Test #93: key-NOANCI ....................... Passed 0.22 sec + 86/123 Test #92: key-MS ........................... Passed 0.28 sec test 98 Start 98: key-PECI @@ -3072,14 +3108,14 @@ 94: WARNING: numerical mismatch between 7904.36124 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 7904.36764 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 94: WARNING: numerical heat mismatch between 1889.18768 on reference line 536 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1889.18921 on output line 536 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 94: WARNING: numerical mismatch between 7904.36124 on reference line 536 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 7904.36764 on output line 536 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac - 87/123 Test #91: key-MRCI ......................... Passed 0.28 sec + 87/123 Test #93: key-NOANCI ....................... Passed 0.28 sec test 99 Start 99: key-PM3 99: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "PM3.mop" 99: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 99: Test timeout computed to be: 10000000 - 88/123 Test #94: key-NONET ........................ Passed 0.26 sec + 88/123 Test #94: key-NONET ........................ Passed 0.24 sec test 100 Start 100: key-PM6 @@ -3088,23 +3124,23 @@ 100: Test timeout computed to be: 10000000 95: 95: -95: MOPAC Job: "NOSYM.mop" ended normally on May 14, 2024, at 07:12. +95: MOPAC Job: "NOSYM.mop" ended normally on Jun 17, 2025, at 15:37. 95: 95: WARNING: numerical heat mismatch between -14.38448 on reference line 77 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -14.38481 on output line 77 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 95: WARNING: numerical mismatch between -60.18468 on reference line 77 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -60.18604 on output line 77 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 95: WARNING: numerical heat mismatch between -14.38448 on reference line 320 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -14.38481 on output line 320 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 95: WARNING: numerical mismatch between -60.18468 on reference line 320 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -60.18604 on output line 320 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac - 89/123 Test #95: key-NOSYM ........................ Passed 0.23 sec +96: +96: +96: MOPAC Job: "OCTET.mop" ended normally on Jun 17, 2025, at 15:37. +96: + 89/123 Test #95: key-NOSYM ........................ Passed 0.33 sec test 101 Start 101: key-PM6-D3 101: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "PM6-D3.mop" 101: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 101: Test timeout computed to be: 10000000 -96: -96: -96: MOPAC Job: "OCTET.mop" ended normally on May 14, 2024, at 07:12. -96: 96: WARNING: numerical heat mismatch between 2654.15927 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 2654.16139 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 96: WARNING: numerical mismatch between 11105.0024 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 11105.01124 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 96: WARNING: numerical heat mismatch between 2654.15927 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 2654.16139 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac @@ -3113,59 +3149,35 @@ 96: WARNING: numerical mismatch between 11105.0024 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 11105.01124 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 96: WARNING: numerical heat mismatch between 2654.15927 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 2654.16139 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 96: WARNING: numerical mismatch between 11105.0024 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 11105.01124 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -97: -97: -97: MOPAC Job: "OPEN.mop" ended normally on May 14, 2024, at 07:12. -97: -98: -98: -98: MOPAC Job: "PECI.mop" ended normally on May 14, 2024, at 07:12. -98: 99: 99: -99: MOPAC Job: "PM3.mop" ended normally on May 14, 2024, at 07:12. +99: MOPAC Job: "PM3.mop" ended normally on Jun 17, 2025, at 15:37. 99: 99: WARNING: numerical heat mismatch between -85.0678 on reference line 81 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -85.06811 on output line 81 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 99: WARNING: numerical mismatch between -355.92369 on reference line 81 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -355.92497 on output line 81 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -98: WARNING: numerical heat mismatch between 7.84782 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 7.84737 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -98: WARNING: numerical mismatch between 32.83528 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 32.8334 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -98: WARNING: numerical heat mismatch between 8.61328 on reference line 401 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 8.61283 on output line 401 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -98: WARNING: numerical mismatch between 36.03795 on reference line 401 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 36.03607 on output line 401 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac - 90/123 Test #96: key-OCTET ........................ Passed 0.24 sec +27: +27: +27: MOPAC Job: "erratic1.mop" ended normally on Jun 17, 2025, at 15:37. +27: + 90/123 Test #96: key-OCTET ........................ Passed 0.34 sec test 102 Start 102: key-PM6-D3H4 102: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "PM6-D3H4.mop" 102: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 102: Test timeout computed to be: 10000000 -97: WARNING: numerical mismatch between 1250.10713 on reference line 88 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1250.10688 on output line 88 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -97: WARNING: numerical mismatch between 1245.97296 on reference line 284 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1245.97271 on output line 284 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -97: WARNING: numerical mismatch between 1250.10713 on reference line 670 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1250.10688 on output line 670 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -97: WARNING: numerical mismatch between 1247.47435 on reference line 1042 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1247.4741 on output line 1042 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +98: +98: +98: MOPAC Job: "PECI.mop" ended normally on Jun 17, 2025, at 15:37. +98: +97: +97: +97: MOPAC Job: "OPEN.mop" ended normally on Jun 17, 2025, at 15:37. +97: 100: 100: -100: MOPAC Job: "PM6.mop" ended normally on May 14, 2024, at 07:12. +100: MOPAC Job: "PM6.mop" ended normally on Jun 17, 2025, at 15:37. 100: -100: WARNING: numerical heat mismatch between -84.81192 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.81223 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -100: WARNING: numerical mismatch between -354.85309 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -354.85436 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac - 91/123 Test #99: key-PM3 .......................... Passed 0.19 sec -test 103 - Start 103: key-PM6-D3H4X - -103: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "PM6-D3H4X.mop" -103: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords -103: Test timeout computed to be: 10000000 -27: -27: -27: MOPAC Job: "erratic1.mop" ended normally on May 14, 2024, at 07:12. -27: - 92/123 Test #97: key-OPEN ......................... Passed 0.26 sec -test 104 - Start 104: key-PM6-DHplus - -104: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "PM6-DHplus.mop" -104: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords -104: Test timeout computed to be: 10000000 27: WARNING: numerical heat mismatch between -167.66206 on reference line 360 in /build/reproducible-path/mopac-22.1.1/tests and -167.66826 on output line 372 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 27: WARNING: numerical mismatch between -701.49806 on reference line 360 in /build/reproducible-path/mopac-22.1.1/tests and -701.52401 on output line 372 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 27: WARNING: numerical mismatch between -62312.34782 on reference line 362 in /build/reproducible-path/mopac-22.1.1/tests and -62312.35262 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac @@ -3462,13 +3474,8 @@ 27: WARNING: numerical mismatch between 1.02757 on reference line 542 in /build/reproducible-path/mopac-22.1.1/tests and 1.02687 on output line 554 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 27: WARNING: numerical mismatch between 1.74638 on reference line 542 in /build/reproducible-path/mopac-22.1.1/tests and 1.74657 on output line 554 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 27: WARNING: numerical mismatch between 0.93813 on reference line 542 in /build/reproducible-path/mopac-22.1.1/tests and 0.93835 on output line 554 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac - 93/123 Test #98: key-PECI ......................... Passed 0.27 sec -test 105 - Start 105: key-PM6-DH2 - -105: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "PM6-DH2.mop" -105: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords -105: Test timeout computed to be: 10000000 +100: WARNING: numerical heat mismatch between -84.81192 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.81223 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +100: WARNING: numerical mismatch between -354.85309 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -354.85436 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 27: WARNING: numerical mismatch between 0.9083 on reference line 544 in /build/reproducible-path/mopac-22.1.1/tests and 0.90808 on output line 556 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 27: WARNING: numerical mismatch between 1.17477 on reference line 544 in /build/reproducible-path/mopac-22.1.1/tests and 1.17501 on output line 556 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 27: WARNING: numerical mismatch between 1.16678 on reference line 546 in /build/reproducible-path/mopac-22.1.1/tests and 1.16724 on output line 558 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac @@ -3489,27 +3496,62 @@ 27: WARNING: numerical mismatch between 158.0111 on reference line 592 in /build/reproducible-path/mopac-22.1.1/tests and 158.0139 on output line 604 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 27: WARNING: numerical mismatch between -396.0574 on reference line 594 in /build/reproducible-path/mopac-22.1.1/tests and -396.0554 on output line 606 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 27: WARNING: numerical mismatch between -2702.1191 on reference line 596 in /build/reproducible-path/mopac-22.1.1/tests and -2702.1194 on output line 608 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac - 94/123 Test #100: key-PM6 .......................... Passed 0.22 sec + 91/123 Test #99: key-PM3 .......................... Passed 0.21 sec +test 103 + Start 103: key-PM6-D3H4X + +103: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "PM6-D3H4X.mop" +103: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords +103: Test timeout computed to be: 10000000 +98: WARNING: numerical heat mismatch between 7.84782 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 7.84737 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +98: WARNING: numerical mismatch between 32.83528 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 32.8334 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +98: WARNING: numerical heat mismatch between 8.61328 on reference line 401 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 8.61283 on output line 401 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +98: WARNING: numerical mismatch between 36.03795 on reference line 401 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 36.03607 on output line 401 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac + 92/123 Test #98: key-PECI ......................... Passed 0.28 sec +test 104 + Start 104: key-PM6-DHplus + +104: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "PM6-DHplus.mop" +104: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords +104: Test timeout computed to be: 10000000 +97: WARNING: numerical mismatch between 1250.10713 on reference line 88 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1250.10688 on output line 88 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +97: WARNING: numerical mismatch between 1245.97296 on reference line 284 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1245.97271 on output line 284 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +97: WARNING: numerical mismatch between 1250.10713 on reference line 670 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1250.10688 on output line 670 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +97: WARNING: numerical mismatch between 1247.47435 on reference line 1042 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1247.4741 on output line 1042 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac + 93/123 Test #27: erratic-1 ........................ Passed 5.46 sec +test 105 + Start 105: key-PM6-DH2 + +105: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "PM6-DH2.mop" +105: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords +105: Test timeout computed to be: 10000000 + 94/123 Test #100: key-PM6 .......................... Passed 0.25 sec test 106 Start 106: key-PM6-DH2X 106: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "PM6-DH2X.mop" 106: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 106: Test timeout computed to be: 10000000 -101: -101: -101: MOPAC Job: "PM6-D3.mop" ended normally on May 14, 2024, at 07:12. -101: -101: WARNING: numerical heat mismatch between -84.88111 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.88142 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -101: WARNING: numerical mismatch between -355.14258 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -355.14385 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac - 95/123 Test #27: erratic-1 ........................ Passed 4.50 sec + 95/123 Test #97: key-OPEN ......................... Passed 0.35 sec test 107 Start 107: key-PM7 107: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "PM7.mop" 107: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 107: Test timeout computed to be: 10000000 - 96/123 Test #101: key-PM6-D3 ....................... Passed 0.20 sec +101: +101: +101: MOPAC Job: "PM6-D3.mop" ended normally on Jun 17, 2025, at 15:37. +101: +101: WARNING: numerical heat mismatch between -84.88111 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.88142 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +101: WARNING: numerical mismatch between -355.14258 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -355.14385 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +103: +103: +103: MOPAC Job: "PM6-D3H4X.mop" ended normally on Jun 17, 2025, at 15:37. +103: +103: WARNING: numerical heat mismatch between -84.81306 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.81336 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +103: WARNING: numerical mismatch between -354.85784 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -354.85911 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac + 96/123 Test #101: key-PM6-D3 ....................... Passed 0.27 sec test 108 Start 108: key-PM7-TS @@ -3518,36 +3560,30 @@ 108: Test timeout computed to be: 10000000 102: 102: -102: MOPAC Job: "PM6-D3H4.mop" ended normally on May 14, 2024, at 07:12. +102: MOPAC Job: "PM6-D3H4.mop" ended normally on Jun 17, 2025, at 15:37. 102: 102: WARNING: numerical heat mismatch between -84.81306 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.81336 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 102: WARNING: numerical mismatch between -354.85784 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -354.85911 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -103: -103: -103: MOPAC Job: "PM6-D3H4X.mop" ended normally on May 14, 2024, at 07:12. -103: -103: WARNING: numerical heat mismatch between -84.81306 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.81336 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -103: WARNING: numerical mismatch between -354.85784 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -354.85911 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac + 97/123 Test #103: key-PM6-D3H4X .................... Passed 0.21 sec +test 109 + Start 109: key-QUARTET + +109: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "QUARTET.mop" +109: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords +109: Test timeout computed to be: 10000000 104: 104: -104: MOPAC Job: "PM6-DHplus.mop" ended normally on May 14, 2024, at 07:12. +104: MOPAC Job: "PM6-DHplus.mop" ended normally on Jun 17, 2025, at 15:37. 104: 104: WARNING: numerical heat mismatch between -84.81729 on reference line 87 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.8176 on output line 87 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 104: WARNING: numerical mismatch between -354.87556 on reference line 87 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -354.87683 on output line 87 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 105: 105: -105: MOPAC Job: "PM6-DH2.mop" ended normally on May 14, 2024, at 07:12. +105: MOPAC Job: "PM6-DH2.mop" ended normally on Jun 17, 2025, at 15:37. 105: - 97/123 Test #102: key-PM6-D3H4 ..................... Passed 0.21 sec -test 109 - Start 109: key-QUARTET - -109: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "QUARTET.mop" -109: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords -109: Test timeout computed to be: 10000000 105: WARNING: numerical heat mismatch between -84.81729 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.8176 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 105: WARNING: numerical mismatch between -354.87556 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -354.87683 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac - 98/123 Test #103: key-PM6-D3H4X .................... Passed 0.20 sec + 98/123 Test #102: key-PM6-D3H4 ..................... Passed 0.29 sec test 110 Start 110: key-QUINTET @@ -3556,51 +3592,51 @@ 110: Test timeout computed to be: 10000000 106: 106: -106: MOPAC Job: "PM6-DH2X.mop" ended normally on May 14, 2024, at 07:12. +106: MOPAC Job: "PM6-DH2X.mop" ended normally on Jun 17, 2025, at 15:37. 106: -106: WARNING: numerical heat mismatch between -84.81729 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.8176 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -106: WARNING: numerical mismatch between -354.87556 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -354.87683 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac - 99/123 Test #104: key-PM6-DHplus ................... Passed 0.21 sec + 99/123 Test #104: key-PM6-DHplus ................... Passed 0.22 sec test 111 Start 111: key-RHF 111: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "RHF.mop" 111: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 111: Test timeout computed to be: 10000000 -107: -107: -107: MOPAC Job: "PM7.mop" ended normally on May 14, 2024, at 07:12. -107: -100/123 Test #105: key-PM6-DH2 ...................... Passed 0.20 sec +106: WARNING: numerical heat mismatch between -84.81729 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.8176 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +106: WARNING: numerical mismatch between -354.87556 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -354.87683 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +100/123 Test #105: key-PM6-DH2 ...................... Passed 0.24 sec test 112 Start 112: key-RM1 112: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "RM1.mop" 112: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 112: Test timeout computed to be: 10000000 +107: +107: +107: MOPAC Job: "PM7.mop" ended normally on Jun 17, 2025, at 15:37. +107: 107: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.51572 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 107: WARNING: numerical mismatch between -353.61248 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -353.61376 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -108: -108: -108: MOPAC Job: "PM7-TS.mop" ended normally on May 14, 2024, at 07:12. -108: -108: WARNING: numerical heat mismatch between -40.84667 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -40.84694 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -108: WARNING: numerical mismatch between -170.90245 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -170.90361 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -101/123 Test #106: key-PM6-DH2X ..................... Passed 0.21 sec +101/123 Test #106: key-PM6-DH2X ..................... Passed 0.27 sec test 113 Start 113: key-ROOT 113: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "ROOT.mop" 113: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 113: Test timeout computed to be: 10000000 -102/123 Test #107: key-PM7 .......................... Passed 0.22 sec +108: +108: +108: MOPAC Job: "PM7-TS.mop" ended normally on Jun 17, 2025, at 15:37. +108: +108: WARNING: numerical heat mismatch between -40.84667 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -40.84694 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +108: WARNING: numerical mismatch between -170.90245 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -170.90361 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +102/123 Test #107: key-PM7 .......................... Passed 0.30 sec test 114 Start 114: key-SEPTET 114: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "SEPTET.mop" 114: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 114: Test timeout computed to be: 10000000 -103/123 Test #108: key-PM7-TS ....................... Passed 0.21 sec +103/123 Test #108: key-PM7-TS ....................... Passed 0.23 sec test 115 Start 115: key-SEXTET @@ -3609,8 +3645,12 @@ 115: Test timeout computed to be: 10000000 109: 109: -109: MOPAC Job: "QUARTET.mop" ended normally on May 14, 2024, at 07:12. +109: MOPAC Job: "QUARTET.mop" ended normally on Jun 17, 2025, at 15:37. 109: +112: +112: +112: MOPAC Job: "RM1.mop" ended normally on Jun 17, 2025, at 15:37. +112: 109: WARNING: numerical heat mismatch between 126.90707 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 126.90725 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 109: WARNING: numerical mismatch between 530.97919 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 530.97994 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 109: WARNING: numerical heat mismatch between 126.90707 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 126.90725 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac @@ -3619,68 +3659,44 @@ 109: WARNING: numerical mismatch between 523.84776 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 523.84819 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 109: WARNING: numerical heat mismatch between 125.20262 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 125.20272 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 109: WARNING: numerical mismatch between 523.84776 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 523.84819 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +112: WARNING: numerical heat mismatch between -81.55398 on reference line 80 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -81.55429 on output line 80 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +112: WARNING: numerical mismatch between -341.22185 on reference line 80 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -341.22315 on output line 80 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 111: 111: -111: MOPAC Job: "RHF.mop" ended normally on May 14, 2024, at 07:12. +111: MOPAC Job: "RHF.mop" ended normally on Jun 17, 2025, at 15:37. 111: 111: WARNING: numerical heat mismatch between -61.93555 on reference line 80 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -61.93566 on output line 80 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 111: WARNING: numerical mismatch between -259.13834 on reference line 80 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -259.1388 on output line 80 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 111: WARNING: numerical mismatch between 32.92723 on reference line 230 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 32.92687 on output line 230 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -112: -112: -112: MOPAC Job: "RM1.mop" ended normally on May 14, 2024, at 07:12. -112: -110: -110: -110: MOPAC Job: "QUINTET.mop" ended normally on May 14, 2024, at 07:12. -110: -104/123 Test #109: key-QUARTET ...................... Passed 0.25 sec +104/123 Test #112: key-RM1 .......................... Passed 0.21 sec test 116 Start 116: key-SINGLET 116: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "SINGLET.mop" 116: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 116: Test timeout computed to be: 10000000 -112: WARNING: numerical heat mismatch between -81.55398 on reference line 80 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -81.55429 on output line 80 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -112: WARNING: numerical mismatch between -341.22185 on reference line 80 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -341.22315 on output line 80 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -105/123 Test #111: key-RHF .......................... Passed 0.23 sec +105/123 Test #109: key-QUARTET ...................... Passed 0.36 sec test 117 Start 117: key-SNAP 117: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "SNAP.mop" 117: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 117: Test timeout computed to be: 10000000 -110: WARNING: numerical heat mismatch between 704.89987 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 704.90046 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -110: WARNING: numerical mismatch between 2949.30106 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 2949.30352 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -110: WARNING: numerical heat mismatch between 704.89987 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 704.90046 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -110: WARNING: numerical mismatch between 2949.30106 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 2949.30352 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -110: WARNING: numerical heat mismatch between 708.35733 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 708.35793 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -110: WARNING: numerical mismatch between 2963.76706 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 2963.76957 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -110: WARNING: numerical heat mismatch between 708.35733 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 708.35793 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -110: WARNING: numerical mismatch between 2963.76706 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 2963.76957 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -106/123 Test #112: key-RM1 .......................... Passed 0.25 sec +106/123 Test #111: key-RHF .......................... Passed 0.29 sec test 118 Start 118: key-SYMMETRY 118: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "SYMMETRY.mop" 118: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 118: Test timeout computed to be: 10000000 -114: -114: -114: MOPAC Job: "SEPTET.mop" ended normally on May 14, 2024, at 07:12. -114: 115: 115: -115: MOPAC Job: "SEXTET.mop" ended normally on May 14, 2024, at 07:12. +115: MOPAC Job: "SEXTET.mop" ended normally on Jun 17, 2025, at 15:37. 115: -114: WARNING: numerical heat mismatch between 1293.36484 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1293.3659 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -114: WARNING: numerical mismatch between 5411.43848 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 5411.44291 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -114: WARNING: numerical heat mismatch between 1293.36484 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1293.3659 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -114: WARNING: numerical mismatch between 5411.43848 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 5411.44291 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -114: WARNING: numerical heat mismatch between 1298.14481 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1298.14588 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -114: WARNING: numerical mismatch between 5431.4379 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 5431.44237 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -114: WARNING: numerical heat mismatch between 1298.14481 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1298.14588 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -114: WARNING: numerical mismatch between 5431.4379 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 5431.44237 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +110: +110: +110: MOPAC Job: "QUINTET.mop" ended normally on Jun 17, 2025, at 15:37. +110: 115: WARNING: numerical heat mismatch between 1352.10281 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1352.10392 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 115: WARNING: numerical mismatch between 5657.19815 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 5657.2028 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 115: WARNING: numerical heat mismatch between 1352.10281 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1352.10392 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac @@ -3689,44 +3705,62 @@ 115: WARNING: numerical mismatch between 5657.55001 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 5657.55466 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 115: WARNING: numerical heat mismatch between 1352.1869 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1352.18802 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 115: WARNING: numerical mismatch between 5657.55001 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 5657.55466 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -107/123 Test #114: key-SEPTET ....................... Passed 0.28 sec +110: WARNING: numerical heat mismatch between 704.89987 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 704.90046 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +110: WARNING: numerical mismatch between 2949.30106 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 2949.30352 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +110: WARNING: numerical heat mismatch between 704.89987 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 704.90046 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +110: WARNING: numerical mismatch between 2949.30106 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 2949.30352 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +110: WARNING: numerical heat mismatch between 708.35733 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 708.35793 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +110: WARNING: numerical mismatch between 2963.76706 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 2963.76957 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +110: WARNING: numerical heat mismatch between 708.35733 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 708.35793 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +110: WARNING: numerical mismatch between 2963.76706 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 2963.76957 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +107/123 Test #115: key-SEXTET ....................... Passed 0.25 sec test 119 Start 119: key-TDIP 119: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "TDIP.mop" 119: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 119: Test timeout computed to be: 10000000 -108/123 Test #115: key-SEXTET ....................... Passed 0.27 sec +116: +116: +116: MOPAC Job: "SINGLET.mop" ended normally on Jun 17, 2025, at 15:37. +116: +114: +114: +114: MOPAC Job: "SEPTET.mop" ended normally on Jun 17, 2025, at 15:37. +114: +116: WARNING: numerical mismatch between -35.54835 on reference line 85 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -35.54877 on output line 85 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +116: WARNING: numerical mismatch between 59.76507 on reference line 273 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 59.76473 on output line 273 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +108/123 Test #110: key-QUINTET ...................... Passed 0.49 sec test 120 Start 120: key-TRIPLET 120: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "TRIPLET.mop" 120: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 120: Test timeout computed to be: 10000000 -109/123 Test #110: key-QUINTET ...................... Passed 0.41 sec +114: WARNING: numerical heat mismatch between 1293.36484 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1293.3659 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +114: WARNING: numerical mismatch between 5411.43848 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 5411.44291 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +114: WARNING: numerical heat mismatch between 1293.36484 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1293.3659 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +114: WARNING: numerical mismatch between 5411.43848 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 5411.44291 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +114: WARNING: numerical heat mismatch between 1298.14481 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1298.14588 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +114: WARNING: numerical mismatch between 5431.4379 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 5431.44237 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +114: WARNING: numerical heat mismatch between 1298.14481 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1298.14588 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +114: WARNING: numerical mismatch between 5431.4379 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 5431.44237 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +109/123 Test #114: key-SEPTET ....................... Passed 0.40 sec test 121 Start 121: key-UHF 121: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "UHF.mop" 121: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords 121: Test timeout computed to be: 10000000 -116: -116: -116: MOPAC Job: "SINGLET.mop" ended normally on May 14, 2024, at 07:12. -116: +118: +118: +118: MOPAC Job: "SYMMETRY.mop" ended normally on Jun 17, 2025, at 15:37. +118: 117: 117: -117: MOPAC Job: "SNAP.mop" ended normally on May 14, 2024, at 07:12. +117: MOPAC Job: "SNAP.mop" ended normally on Jun 17, 2025, at 15:37. 117: -116: WARNING: numerical mismatch between -35.54835 on reference line 85 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -35.54877 on output line 85 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -116: WARNING: numerical mismatch between 59.76507 on reference line 273 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 59.76473 on output line 273 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -117: WARNING: numerical heat mismatch between -14.37282 on reference line 75 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -14.37315 on output line 75 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -117: WARNING: numerical mismatch between -60.13588 on reference line 75 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -60.13724 on output line 75 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -117: WARNING: numerical heat mismatch between -14.37287 on reference line 227 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -14.3732 on output line 227 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -117: WARNING: numerical mismatch between -60.13611 on reference line 227 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -60.13747 on output line 227 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -117: WARNING: numerical heat mismatch between -14.37287 on reference line 378 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -14.3732 on output line 378 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -117: WARNING: numerical mismatch between -60.13611 on reference line 378 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -60.13747 on output line 378 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -110/123 Test #116: key-SINGLET ...................... Passed 0.28 sec +110/123 Test #116: key-SINGLET ...................... Passed 0.31 sec test 122 Start 122: key-WRTCI @@ -3735,24 +3769,8 @@ 122: Test timeout computed to be: 10000000 119: 119: -119: MOPAC Job: "TDIP.mop" ended normally on May 14, 2024, at 07:12. +119: MOPAC Job: "TDIP.mop" ended normally on Jun 17, 2025, at 15:37. 119: -111/123 Test #117: key-SNAP ......................... Passed 0.27 sec -test 123 - Start 123: key-WRTCONF - -123: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "WRTCONF.mop" -123: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords -123: Test timeout computed to be: 10000000 -118: -118: -118: MOPAC Job: "SYMMETRY.mop" ended normally on May 14, 2024, at 07:12. -118: -112/123 Test #119: key-TDIP ......................... Passed 0.20 sec -120: -120: -120: MOPAC Job: "TRIPLET.mop" ended normally on May 14, 2024, at 07:12. -120: 118: WARNING: numerical heat mismatch between 16.84931 on reference line 98 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 16.84886 on output line 98 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 118: WARNING: numerical mismatch between 70.49749 on reference line 98 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 70.49565 on output line 98 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 118: WARNING: numerical heat mismatch between 13.85544 on reference line 293 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 13.855 on output line 293 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac @@ -3763,6 +3781,25 @@ 118: WARNING: numerical mismatch between 280.41882 on reference line 637 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 280.41805 on output line 637 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 118: WARNING: numerical heat mismatch between 66.85441 on reference line 805 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 66.85422 on output line 805 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 118: WARNING: numerical mismatch between 279.71884 on reference line 805 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 279.71807 on output line 805 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +117: WARNING: numerical heat mismatch between -14.37282 on reference line 75 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -14.37315 on output line 75 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +117: WARNING: numerical mismatch between -60.13588 on reference line 75 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -60.13724 on output line 75 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +117: WARNING: numerical heat mismatch between -14.37287 on reference line 227 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -14.3732 on output line 227 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +117: WARNING: numerical mismatch between -60.13611 on reference line 227 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -60.13747 on output line 227 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +117: WARNING: numerical heat mismatch between -14.37287 on reference line 378 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -14.3732 on output line 378 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +117: WARNING: numerical mismatch between -60.13611 on reference line 378 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -60.13747 on output line 378 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +111/123 Test #119: key-TDIP ......................... Passed 0.21 sec +test 123 + Start 123: key-WRTCONF + +123: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac" "0.01" "WRTCONF.mop" +123: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/tests/keywords +123: Test timeout computed to be: 10000000 +112/123 Test #118: key-SYMMETRY ..................... Passed 0.32 sec +113/123 Test #117: key-SNAP ......................... Passed 0.36 sec +120: +120: +120: MOPAC Job: "TRIPLET.mop" ended normally on Jun 17, 2025, at 15:37. +120: 120: WARNING: numerical heat mismatch between 93.14412 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 93.14423 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 120: WARNING: numerical mismatch between 389.71498 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 389.71545 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 120: WARNING: numerical heat mismatch between 93.14412 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 93.14423 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac @@ -3773,45 +3810,44 @@ 120: WARNING: numerical mismatch between 393.55788 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 393.55834 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 121: 121: -121: MOPAC Job: "UHF.mop" ended normally on May 14, 2024, at 07:12. +121: MOPAC Job: "UHF.mop" ended normally on Jun 17, 2025, at 15:37. 121: -121: WARNING: numerical heat mismatch between -61.93555 on reference line 80 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -61.93566 on output line 80 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -121: WARNING: numerical mismatch between -259.13836 on reference line 80 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -259.13882 on output line 80 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -121: WARNING: numerical mismatch between 30.36323 on reference line 244 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 30.36287 on output line 244 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -113/123 Test #118: key-SYMMETRY ..................... Passed 0.32 sec -114/123 Test #120: key-TRIPLET ...................... Passed 0.25 sec -115/123 Test #121: key-UHF .......................... Passed 0.23 sec 122: 122: -122: MOPAC Job: "WRTCI.mop" ended normally on May 14, 2024, at 07:12. +122: MOPAC Job: "WRTCI.mop" ended normally on Jun 17, 2025, at 15:37. 122: +121: WARNING: numerical heat mismatch between -61.93555 on reference line 80 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -61.93566 on output line 80 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +121: WARNING: numerical mismatch between -259.13836 on reference line 80 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -259.13882 on output line 80 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +121: WARNING: numerical mismatch between 30.36323 on reference line 244 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 30.36287 on output line 244 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac +114/123 Test #120: key-TRIPLET ...................... Passed 0.30 sec 123: 123: -123: MOPAC Job: "WRTCONF.mop" ended normally on May 14, 2024, at 07:12. +123: MOPAC Job: "WRTCONF.mop" ended normally on Jun 17, 2025, at 15:37. 123: -116/123 Test #122: key-WRTCI ........................ Passed 0.21 sec -117/123 Test #123: key-WRTCONF ...................... Passed 0.22 sec +115/123 Test #121: key-UHF .......................... Passed 0.27 sec +116/123 Test #122: key-WRTCI ........................ Passed 0.26 sec +117/123 Test #123: key-WRTCONF ...................... Passed 0.24 sec 81: 81: -81: MOPAC Job: "CISDT.mop" ended normally on May 14, 2024, at 07:12. +81: MOPAC Job: "CISDT.mop" ended normally on Jun 17, 2025, at 15:37. 81: 81: WARNING: numerical heat mismatch between 6.52314 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 6.52269 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 81: WARNING: numerical mismatch between 27.29281 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 27.29093 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 81: WARNING: numerical heat mismatch between 6.58382 on reference line 1857 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 6.58337 on output line 1857 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 81: WARNING: numerical mismatch between 27.54671 on reference line 1857 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 27.54483 on output line 1857 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -118/123 Test #81: key-CISDT ........................ Passed 2.89 sec +118/123 Test #81: key-CISDT ........................ Passed 2.91 sec 59: 59: -59: MOPAC Job: "poly_c8_mr.mop" ended normally on May 14, 2024, at 07:12. +59: MOPAC Job: "poly_c8_mr.mop" ended normally on Jun 17, 2025, at 15:37. 59: -119/123 Test #59: poly_c8_mr ....................... Passed 5.35 sec +119/123 Test #59: poly_c8_mr ....................... Passed 6.64 sec 1: 1: -1: MOPAC Job: "port.mop" ended normally on May 14, 2024, at 07:12. +1: MOPAC Job: "port.mop" ended normally on Jun 17, 2025, at 15:37. 1: 113: 113: -113: MOPAC Job: "ROOT.mop" ended normally on May 14, 2024, at 07:12. +113: MOPAC Job: "ROOT.mop" ended normally on Jun 17, 2025, at 15:37. 113: 113: WARNING: numerical heat mismatch between -205.75414 on reference line 100 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -205.75541 on output line 100 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 113: WARNING: numerical mismatch between -860.87533 on reference line 100 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -860.88062 on output line 100 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac @@ -3827,7 +3863,7 @@ 113: WARNING: numerical mismatch between 175.30693 on reference line 3300 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 175.30219 on output line 3300 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 113: WARNING: numerical heat mismatch between -102.57995 on reference line 3940 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -102.58117 on output line 3940 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 113: WARNING: numerical mismatch between -429.19453 on reference line 3940 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -429.1996 on output line 3940 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -120/123 Test #113: key-ROOT ......................... Passed 9.50 sec +120/123 Test #113: key-ROOT ......................... Passed 9.55 sec 1: WARNING: numerical mismatch between 0.00060287 on reference line 52884 in /build/reproducible-path/mopac-22.1.1/tests and 1.9631 on output line 52884 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 1: WARNING: numerical mismatch between 0.000614315 on reference line 52885 in /build/reproducible-path/mopac-22.1.1/tests and 16.9805 on output line 52885 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 1: WARNING: numerical mismatch between 18.676412 on reference line 52887 in /build/reproducible-path/mopac-22.1.1/tests and 16.980531 on output line 52887 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac @@ -5693,21 +5729,21 @@ 1: WARNING: numerical mismatch between 2.198131 on reference line 103843 in /build/reproducible-path/mopac-22.1.1/tests and 2.198257 on output line 103845 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 1: WARNING: numerical mismatch between 5.8019 on reference line 103843 in /build/reproducible-path/mopac-22.1.1/tests and 5.8017 on output line 103845 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac 1: WARNING: numerical mismatch between 3.39311 on reference line 103843 in /build/reproducible-path/mopac-22.1.1/tests and 3.39299 on output line 103845 in /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/mopac -121/123 Test #1: port ............................. Passed 16.16 sec +121/123 Test #1: port ............................. Passed 16.88 sec 3: 3: -3: MOPAC Job: "test_Lewis_for_Proteins.mop" ended normally on May 14, 2024, at 07:12. +3: MOPAC Job: "test_Lewis_for_Proteins.mop" ended normally on Jun 17, 2025, at 15:37. 3: -122/123 Test #3: mozyme ........................... Passed 24.96 sec +122/123 Test #3: mozyme ........................... Passed 25.76 sec 2: 2: -2: MOPAC Job: "Crambin_1SCF.mop" ended normally on May 14, 2024, at 07:13. +2: MOPAC Job: "Crambin_1SCF.mop" ended normally on Jun 17, 2025, at 15:38. 2: -123/123 Test #2: crambin .......................... Passed 33.91 sec +123/123 Test #2: crambin .......................... Passed 36.09 sec 100% tests passed, 0 tests failed out of 123 -Total Test time (real) = 33.93 sec +Total Test time (real) = 36.12 sec make[1]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu' create-stamp debian/debhelper-build-stamp fakeroot debian/rules binary @@ -5744,19 +5780,19 @@ make -f CMakeFiles/mopac.dir/build.make CMakeFiles/mopac.dir/depend make -f CMakeFiles/mopac-param.dir/build.make CMakeFiles/mopac-param.dir/depend make[4]: Entering directory '/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu' -cd /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-22.1.1 /build/reproducible-path/mopac-22.1.1 /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/CMakeFiles/mopac-param.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu' cd /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-22.1.1 /build/reproducible-path/mopac-22.1.1 /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/CMakeFiles/mopac.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu' -make -f CMakeFiles/mopac.dir/build.make CMakeFiles/mopac.dir/build +make[4]: Entering directory '/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu' +cd /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-22.1.1 /build/reproducible-path/mopac-22.1.1 /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu /build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu/CMakeFiles/mopac-param.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu' make -f CMakeFiles/mopac-param.dir/build.make CMakeFiles/mopac-param.dir/build -make[4]: Entering directory '/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu' -make[4]: Nothing to be done for 'CMakeFiles/mopac.dir/build'. make[4]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu' +make -f CMakeFiles/mopac.dir/build.make CMakeFiles/mopac.dir/build make[4]: Entering directory '/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu' make[4]: Nothing to be done for 'CMakeFiles/mopac-param.dir/build'. make[4]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu' +make[4]: Entering directory '/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu' +make[4]: Nothing to be done for 'CMakeFiles/mopac.dir/build'. +make[4]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu' [ 99%] Built target mopac [100%] Built target mopac-param make[3]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-aarch64-linux-gnu' @@ -5803,12 +5839,14 @@ dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: not including original source code in upload I: copying local configuration +I: user script /srv/workspace/pbuilder/3209202/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/3209202/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/3413776 and its subdirectories -I: Current time: Tue May 14 07:13:23 -12 2024 -I: pbuilder-time-stamp: 1715714003 +I: removing directory /srv/workspace/pbuilder/3209202 and its subdirectories +I: Current time: Tue Jun 17 15:38:21 +14 2025 +I: pbuilder-time-stamp: 1750124301